7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
TL;DR: 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione (CAS 303968-95-8) is a chemical compound with molecular formula C15H24N4O2S and molecular weight 324.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
Also Known As: BAS 00964112, 7-butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione, AB00153315-02, 7-butyl-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-butyl-3-methyl-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C15H24N4O2S |
|---|---|
| Molecular Weight | 324.16 g/mol |
| LogP | 2.3616 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.162 |
| Heavy Atoms | 22 |
| Complexity | 757.2138 |
Chemical Identifiers
| CAS Number | 303968-95-8 |
|---|---|
| SMILES | CCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C |
Product Overview
7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione (CAS 303968-95-8), with molecular formula C15H24N4O2S and molecular weight 324.16 g/mol. IUPAC: 7-butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
Property Insights of 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
The XLogP value of 2.3616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione. Following Lipinski's Rule of Five, 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione 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 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione?
The CAS number of 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione is 303968-95-8.
What is the molecular formula of 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione?
The molecular formula of 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione is C15H24N4O2S.
What is the molecular weight of 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione?
The molecular weight of 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione is 324.16 g/mol.
Where can I buy 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione?
You can request a quote for 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.