1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one
TL;DR: 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one (CAS 6492-96-2) is a chemical compound with molecular formula C12H18N4OS2 and molecular weight 298.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one
Also Known As: J3.070.540H, 1,3-Dimethyl-6-thioxo-8-(3-methylbutylthio)-7H-purine-2(3H)-one, 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one, 1,3-Dimethyl-8-[(3-methylbutyl)sulfanyl]-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one, 1,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one
| Molecular Formula | C12H18N4OS2 |
|---|---|
| Molecular Weight | 298.09 g/mol |
| LogP | 2.46779 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.0922 |
| Heavy Atoms | 19 |
| Complexity | 710.8133 |
Chemical Identifiers
| CAS Number | 6492-96-2 |
|---|---|
| SMILES | CC(C)CCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C |
Product Overview
1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one (CAS 6492-96-2), with molecular formula C12H18N4OS2 and molecular weight 298.09 g/mol. IUPAC: 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one.
Chemical Property Profile of 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one
Property Insights of 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one
The XLogP value of 2.46779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one. With a topological polar surface area (TPSA) of 55.61 Ų, 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl-8-(3-methylbutylsulfanyl)-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 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one?
The CAS number of 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one is 6492-96-2.
What is the molecular formula of 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one?
The molecular formula of 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one is C12H18N4OS2.
What is the molecular weight of 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one?
The molecular weight of 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one is 298.09 g/mol.
Where can I buy 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one?
You can request a quote for 1,3-dimethyl-8-(3-methylbutylsulfanyl)-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 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.