8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione (CAS 332149-61-8) is a chemical compound with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzylsulfanyl-3-methyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: BAS 00732882, 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione, AB00667676-01, 8-benzylsulfanyl-3-methyl-7-phenethylpurine-2,6-dione, F0373-0962
| Molecular Formula | C21H20N4O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 2.9583 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.1307 |
| Heavy Atoms | 28 |
| Complexity | 1210.3685 |
Chemical Identifiers
| CAS Number | 332149-61-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CCC4=CC=CC=C4 |
Product Overview
8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione (CAS 332149-61-8), with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol. IUPAC: 8-benzylsulfanyl-3-methyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.9583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(benzylthio)-3-methyl-7-phenethyl-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 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione is 332149-61-8.
What is the molecular formula of 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione is C21H20N4O2S.
What is the molecular weight of 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione is 392.13 g/mol.
Where can I buy 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(benzylthio)-3-methyl-7-phenethyl-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)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(benzylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.