3,7-Dihydro-3,7-dimethyl-6-[(5-oxohexyl)oxy]-2H-purin-2-one - 98%, high purity , CAS No.93079-86-8

Item Number

D358213

Grouped product items
SKU	Size	Availability	Price	Qty
D358213-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$490.90	+-
D358213-5mg	5mg	1	$1,716.90	+-
D358213-10mg	10mg	2	$3,089.90	+-

a byproduct of Pentoxifylline synthesis

Basic Description

Synonyms	3,7-dimethyl-6-(5-oxohexoxy)purin-2-one \| 2h-purin-2-one \| DTXSID40705789 \| 3,7-Dihydro-3,7-dimethyl-6-((5-oxohexyl)oxy)-2H-purin-2-one \| 3,7-Dimethyl-6-(5-oxohexyloxy)-3,7-dihydro-2H-purin-2-one \| 3,7-Dimethyl-6-((5-oxohexyl)oxy)-3,7-dihydro-2H-purin-2-o
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Product Description	3,7-Dihydro-3,7-dimethyl-6-[(5-oxohexyl)oxy]-2H-purin-2-one is a byproduct of Pentoxifylline synthesis.

Names and Identifiers

Pubchem Sid	504771290
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771290
IUPAC Name	3,7-dimethyl-6-(5-oxohexoxy)purin-2-one
INCHI	InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-20-12-10-11(14-8-16(10)2)17(3)13(19)15-12/h8H,4-7H2,1-3H3
InChi Key	AVWIQTQAJMTMIH-UHFFFAOYSA-N
Canonical SMILES	CC(=O)CCCCOC1=NC(=O)N(C2=C1N(C=N2)C)C
Isomeric SMILES	CC(=O)CCCCOC1=NC(=O)N(C2=C1N(C=N2)C)C
PubChem CID	53664896
Molecular Weight	278.31

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
I2207391	Certificate of Analysis	Aug 01, 2022	D358213
I2207392	Certificate of Analysis	Aug 01, 2022	D358213
L2410136	Certificate of Analysis	Aug 01, 2022	D358213

Chemical and Physical Properties

Solubility	Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
Melt Point(°C)	189-192° C
Molecular Weight	278.310 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	278.138 Da
Monoisotopic Mass	278.138 Da
Topological Polar Surface Area	76.800 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	424.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H302+H312:Harmful if swallowed or in contact with skin
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. P271:Use only outdoors or in a well-ventilated area.

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Basic Description