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5,6-Dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid - 97%, high purity , CAS No.40133-06-0

  • ≥97%
Item Number
D358318
Grouped product items
SKUSizeAvailabilityPrice Qty
D358318-100mg
100mg
3
$37.90
D358318-250mg
250mg
3
$63.90
D358318-1g
1g
3
$165.90
D358318-5g
5g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$742.90

Basic Description

Synonyms5,6-Dihydrocyclopenta[b]thiophene-2-carboxylic acid | Z56822380 | Enamine_001870 | HMS1399E22 | J-516529 | A873449 | STK505511 | AKOS000121739 | FA-0897 | DTXSID30354381 | SCHEMBL2954334 | MFCD01860021 | BDBM50427206 | 4H,5H,6H-cyclopenta[b]thiophene-2-ca
Specifications & Purity≥97%
Storage TempStore at 2-8°C
Shipped InWet ice

AI Insight

Product Properties

pKapKa: 3.91 (Predicted)
Ki Datahuman recombinant N-terminal His-tagged DAO Y224A mutant expressed in Escherichia coli BL21: Ki= 4.59 μM; DAAO: Ki= 9.92 μM (human); human recombinant N-terminal His-tagged DAO Y224F mutant expressed in Escherichia coli BL21: Ki= 14.4 μM

Associated Targets(Human)

HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SRR Tbio Serine racemase (249 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DAO Tchem D-amino-acid oxidase (802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

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Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

Pubchem Sid504760125
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504760125
IUPAC Name 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
INCHI InChI=1S/C8H8O2S/c9-8(10)7-4-5-2-1-3-6(5)11-7/h4H,1-3H2,(H,9,10)
InChi Key XSFUFVBXPLWNBK-UHFFFAOYSA-N
Canonical SMILES C1CC2=C(C1)SC(=C2)C(=O)O
Isomeric SMILES C1CC2=C(C1)SC(=C2)C(=O)O
PubChem CID 770980
Molecular Weight 168.22

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDateItem
K2204288Certificate of AnalysisSep 13, 2022 D358318
K2204289Certificate of AnalysisSep 13, 2022 D358318
K2204416Certificate of AnalysisSep 13, 2022 D358318
K2204417Certificate of AnalysisSep 13, 2022 D358318
L2419203Certificate of AnalysisSep 13, 2022 D358318

Chemical and Physical Properties

Refractive Indexn20D~1.65 (Predicted)
Boil Point(°C)~347.7° C at 760 mmHg (Predicted)
Melt Point(°C)200-202° C
Molecular Weight168.210 g/mol
XLogP32.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass168.025 Da
Monoisotopic Mass168.025 Da
Topological Polar Surface Area65.500 Ų
Heavy Atom Count11
Formal Charge0
Complexity181.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1

Safety and Hazards(GHS)

Pictogram(s) GHS07
Signal Warning
Hazard Statements

H315:Causes skin irritation

H319:Causes serious eye irritation

H335:May cause respiratory irritation

H302:Harmful if swallowed

H312:Harmful in contact with skin

H332:Harmful if inhaled

Precautionary Statements

P261:Avoid breathing dust/fume/gas/mist/vapors/spray.

P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.

P280:Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352:IF ON SKIN: wash with plenty of water.

P321:Specific treatment (see ... on this label).

P405:Store locked up.

P501:Dispose of contents/container to ...

P264:Wash hands [and …] thoroughly after handling.

P271:Use only outdoors or in a well-ventilated area.

P270:Do not eat, drink or smoke when using this product.

P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P403+P233:Store in a well-ventilated place. Keep container tightly closed.

P362+P364:Take off contaminated clothing and wash it before reuse.

P330:Rinse mouth.

P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes.

P301+P317:IF SWALLOWED: Get medical help.

P317:Get emergency medical help.

P337+P317:If eye irritation persists: Get medical help.

P332+P317:If skin irritation occurs: Get medical help.

P319:Get medical help if you feel unwell.

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