7-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione (CAS 313530-80-2) is a chemical compound with molecular formula C12H18N4O2S and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(3-methylbutyl)-8-methylsulfanylpurine-2,6-dione
Also Known As: BAS 00288320, 7-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(3-methylbutyl)-8-methylsulfanylpurine-2,6-dione, F0372-0746, 3-Methyl-7-(3-methyl-butyl)-8-methylsulfanyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C12H18N4O2S |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 1.1913 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.11505 |
| Heavy Atoms | 19 |
| Complexity | 710.8133 |
Chemical Identifiers
| CAS Number | 313530-80-2 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SC)N(C(=O)NC2=O)C |
Product Overview
7-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione (CAS 313530-80-2), with molecular formula C12H18N4O2S and molecular weight 282.12 g/mol. IUPAC: 3-methyl-7-(3-methylbutyl)-8-methylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.1913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-isopentyl-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-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-isopentyl-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-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is 313530-80-2.
What is the molecular formula of 7-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is C12H18N4O2S.
What is the molecular weight of 7-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is 282.12 g/mol.
Where can I buy 7-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-isopentyl-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-isopentyl-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-isopentyl-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.