8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 313530-83-5) is a chemical compound with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: BAS 00288327, BRD-K03321610-001-01-2, 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-benzylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione, 8-(benzylthio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C18H22N4O2S |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 2.7617 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.14636 |
| Heavy Atoms | 25 |
| Complexity | 985.9641 |
Chemical Identifiers
| CAS Number | 313530-83-5 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 313530-83-5), with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol. IUPAC: 8-benzylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.7617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-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 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 313530-83-5.
What is the molecular formula of 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C18H22N4O2S.
What is the molecular weight of 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 358.15 g/mol.
Where can I buy 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-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 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.