7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione (CAS 316357-68-3) is a chemical compound with molecular formula C14H22N4O2S and molecular weight 310.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-heptyl-3-methyl-8-methylsulfanylpurine-2,6-dione
Also Known As: 7-heptyl-3-methyl-8-methylsulfanylpurine-2,6-dione, 7-heptyl-3-methyl-8-methylsulfanyl-purine-2,6-dione, 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione, 7-heptyl-6-hydroxy-3-methyl-8-(methylsulfanyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C14H22N4O2S |
|---|---|
| Molecular Weight | 310.15 g/mol |
| LogP | 2.1156 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.14636 |
| Heavy Atoms | 21 |
| Complexity | 728.8748 |
Chemical Identifiers
| CAS Number | 316357-68-3 |
|---|---|
| SMILES | CCCCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C |
Product Overview
7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione (CAS 316357-68-3), with molecular formula C14H22N4O2S and molecular weight 310.15 g/mol. IUPAC: 7-heptyl-3-methyl-8-methylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.1156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-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-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is 316357-68-3.
What is the molecular formula of 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is C14H22N4O2S.
What is the molecular weight of 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is 310.15 g/mol.
Where can I buy 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-heptyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.