8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
TL;DR: 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one (CAS 6492-93-9) is a chemical compound with molecular formula C14H14N4OS2 and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Also Known As: 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one, 8-(Benzylsulfanyl)-1,3-dimethyl-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one
| Molecular Formula | C14H14N4OS2 |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 2.62189 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0609 |
| Heavy Atoms | 21 |
| Complexity | 908.35406 |
Chemical Identifiers
| CAS Number | 6492-93-9 |
|---|---|
| SMILES | CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCC3=CC=CC=C3 |
Product Overview
8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one (CAS 6492-93-9), with molecular formula C14H14N4OS2 and molecular weight 318.06 g/mol. IUPAC: 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one.
Chemical Property Profile of 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Property Insights of 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
The XLogP value of 2.62189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one. With a topological polar surface area (TPSA) of 55.61 Ų, 8-benzylsulfanyl-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-benzylsulfanyl-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-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
The CAS number of 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one is 6492-93-9.
What is the molecular formula of 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
The molecular formula of 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one is C14H14N4OS2.
What is the molecular weight of 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
The molecular weight of 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one is 318.06 g/mol.
Where can I buy 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
You can request a quote for 8-benzylsulfanyl-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-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.