8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 376623-53-9) is a chemical compound with molecular formula C19H24N4O2S and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzylsulfanyl-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: BAS 03301954, AB00673524-01, 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-benzylsulfanyl-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione, F1167-0072
| Molecular Formula | C19H24N4O2S |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 2.7721 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.162 |
| Heavy Atoms | 26 |
| Complexity | 1031.6042 |
Chemical Identifiers
| CAS Number | 376623-53-9 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C |
Product Overview
8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 376623-53-9), with molecular formula C19H24N4O2S and molecular weight 372.16 g/mol. IUPAC: 8-benzylsulfanyl-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.7721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 0 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-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 376623-53-9.
What is the molecular formula of 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C19H24N4O2S.
What is the molecular weight of 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 372.16 g/mol.
Where can I buy 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(benzylthio)-7-isopentyl-1,3-dimethyl-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 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(benzylthio)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.