7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione
TL;DR: 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione (CAS 331839-77-1) is a chemical compound with molecular formula C21H19ClN4O2S and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-3-methyl-8-(2-phenylethylsulfanyl)purine-2,6-dione
Also Known As: BAS 00619001, 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-3-methyl-8-phenethylsulfanylpurine-2,6-dione, 7-(4-chlorobenzyl)-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione, 7-(4-chlorobenzyl)-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H19ClN4O2S |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 3.4598 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.09174 |
| Heavy Atoms | 29 |
| Complexity | 1260.321 |
Chemical Identifiers
| CAS Number | 331839-77-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl |
Product Overview
7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione (CAS 331839-77-1), with molecular formula C21H19ClN4O2S and molecular weight 426.09 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(2-phenylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione
Property Insights of 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 3.4598 indicates that 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-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-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-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 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione is 331839-77-1.
What is the molecular formula of 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione is C21H19ClN4O2S.
What is the molecular weight of 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione is 426.09 g/mol.
Where can I buy 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-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 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-Chloro-benzyl)-3-methyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.