8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
TL;DR: 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one (CAS 6492-92-8) is a chemical compound with molecular formula C13H20N4OS2 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Also Known As: J3.070.539D, 1,3-Dimethyl-6-thioxo-8-(1-methylpentylthio)-7H-purine-2(3H)-one, 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2, 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one, 2H-purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(1-methylpentyl)thio]-6-thioxo-
| Molecular Formula | C13H20N4OS2 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 3.00039 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.10785 |
| Heavy Atoms | 20 |
| Complexity | 728.272 |
Chemical Identifiers
| CAS Number | 6492-92-8 |
|---|---|
| SMILES | CCCCC(C)SC1=NC2=C(N1)C(=S)N(C(=O)N2C)C |
Product Overview
8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one (CAS 6492-92-8), with molecular formula C13H20N4OS2 and molecular weight 312.11 g/mol. IUPAC: 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one.
Chemical Property Profile of 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Property Insights of 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
The XLogP value of 3.00039 indicates that 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
The CAS number of 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one is 6492-92-8.
What is the molecular formula of 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
The molecular formula of 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one is C13H20N4OS2.
What is the molecular weight of 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
The molecular weight of 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one is 312.11 g/mol.
Where can I buy 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
You can request a quote for 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.