![7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione structure](/static/products/3736/373619-64-8.webp)
7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione
TL;DR: 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione (CAS 373619-64-8) 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-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione, 7-benzyl-8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-benzyl-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione, 7-benzyl-8-((4-chlorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H19ClN4O2S |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 3.4277 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.09174 |
| Heavy Atoms | 29 |
| Complexity | 1290.9982 |
Chemical Identifiers
| CAS Number | 373619-64-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=C(C=C3)Cl)CC4=CC=CC=C4 |
Product Overview
7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione (CAS 373619-64-8), with molecular formula C21H19ClN4O2S and molecular weight 426.09 g/mol. IUPAC: 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione
Property Insights of 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione
The XLogP value of 3.4277 indicates that 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-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 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione?
The CAS number of 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione is 373619-64-8.
What is the molecular formula of 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione?
The molecular formula of 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione is C21H19ClN4O2S.
What is the molecular weight of 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione?
The molecular weight of 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione is 426.09 g/mol.
Where can I buy 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione?
You can request a quote for 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-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-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-benzyl-8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.