N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]thiourea - 98%,99% ee, high purity , CAS No.1040245-49-5

Item Number

N281663

Grouped product items
SKU	Size	Availability	Price	Qty
N281663-50mg	50mg	3	$134.90	+-
N281663-100mg	100mg	3	$242.90	+-

Catalysts & Chiral Catalysts

Names and Identifiers

Pubchem Sid	488202342
IUPAC Name	1-[2-(13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)cyclohexyl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
INCHI	InChI=1S/C37H31F6N3S/c38-36(39,40)26-17-27(37(41,42)43)19-28(18-26)44-35(47)45-31-11-5-6-12-32(31)46-20-24-15-13-22-7-1-3-9-29(22)33(24)34-25(21-46)16-14-23-8-2-4-10-30(23)34/h1-4,7-10,13-19,31-32H,5-6,11-12,20-21H2,(H2,44,45,47)
InChi Key	NBHCLYDPDKSHJN-UHFFFAOYSA-N
Canonical SMILES	C1CCC(C(C1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CC4=C(C5=CC=CC=C5C=C4)C6=C(C3)C=CC7=CC=CC=C76
Isomeric SMILES	C1CCC(C(C1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CC4=C(C5=CC=CC=C5C=C4)C6=C(C3)C=CC7=CC=CC=C76
PubChem CID	74376476
Molecular Weight	663.7

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.

4 results found

Lot Number	Certificate Type	Date	Item
F2305784	Certificate of Analysis	Apr 19, 2023	N281663
F2305785	Certificate of Analysis	Apr 19, 2023	N281663
F2305786	Certificate of Analysis	Apr 19, 2023	N281663
F2305787	Certificate of Analysis	Apr 19, 2023	N281663

Refractive Index

-30.5°, ( c=0.8 in chloroform)

Melt Point(°C)

151-152°C

Safety and Hazards(GHS)

Signal	Warning
Hazard Statements	H413:May cause long lasting harmful effects to aquatic life H302:Harmful if swallowed
Precautionary Statements	P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER/doctor/... IF you feel unwell.

Solution Calculators

Determine the necessary mass, volume, or concentration for preparing a solution.

Determine the dilution needed to prepare a stock solution.

Basic Description