![7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione structure](/static/products/3596/359692-57-2.webp)
7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione
TL;DR: 7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione (CAS 359692-57-2) is a chemical compound with molecular formula C20H17ClN4O2S and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione
Also Known As: AB00675529-01, AB00675529-02, F1614-0189, 7-(2-chlorobenzyl)-1,3-dimethyl-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione
| Molecular Formula | C20H17ClN4O2S |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 3.2866 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.07608 |
| Heavy Atoms | 28 |
| Complexity | 1291.5426 |
Chemical Identifiers
| CAS Number | 359692-57-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3)CC4=CC=CC=C4Cl |
Product Overview
7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione (CAS 359692-57-2), with molecular formula C20H17ClN4O2S and molecular weight 412.08 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione
Property Insights of 7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione
The XLogP value of 3.2866 indicates that 7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-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-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-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-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione?
The CAS number of 7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione is 359692-57-2.
What is the molecular formula of 7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione?
The molecular formula of 7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione is C20H17ClN4O2S.
What is the molecular weight of 7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione?
The molecular weight of 7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione is 412.08 g/mol.
Where can I buy 7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione?
You can request a quote for 7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-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-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.