7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 377050-95-8) is a chemical compound with molecular formula C20H16ClFN4O2S and molecular weight 430.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-[(4-fluorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione
Also Known As: 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00673508-01, F1167-0019, 7-[(2-chlorophenyl)methyl]-8-[(4-fluorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-{[(4-fluorophenyl)methyl]sulfanyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H16ClFN4O2S |
|---|---|
| Molecular Weight | 430.07 g/mol |
| LogP | 3.5564 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.06665 |
| Heavy Atoms | 29 |
| Complexity | 1311.0483 |
Chemical Identifiers
| CAS Number | 377050-95-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)F)CC4=CC=CC=C4Cl |
Product Overview
7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 377050-95-8), with molecular formula C20H16ClFN4O2S and molecular weight 430.07 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-[(4-fluorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.5564 indicates that 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-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-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 377050-95-8.
What is the molecular formula of 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is C20H16ClFN4O2S.
What is the molecular weight of 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 430.07 g/mol.
Where can I buy 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-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-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-chlorobenzyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.