8-(4-Chlorophenylthio)adenine
TL;DR: 8-(4-Chlorophenylthio)adenine (CAS 696574-61-5) is a chemical compound with molecular formula C11H8ClN5S and molecular weight 277.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-chlorophenyl)sulfanyl-7H-purin-6-amine
Also Known As: 8-(4-Chlorophenylthio)adenine, 8-(4-chlorophenyl)sulfanyl-7H-purin-6-amine, 8-[(4-chlorophenyl)sulfanyl]-9H-purin-6-amine, 8-((4-Chlorophenyl)thio)-7H-purin-6-amine, 8-((4-chlorophenyl)thio)-9H-purin-6-amine
| Molecular Formula | C11H8ClN5S |
|---|---|
| Molecular Weight | 277.02 g/mol |
| LogP | 2.7397 |
| Topological Polar Surface Area | 80.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0189 |
| Heavy Atoms | 18 |
| Complexity | 694.225 |
Chemical Identifiers
| CAS Number | 696574-61-5 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=NC3=NC=NC(=C3N2)N)Cl |
Product Overview
8-(4-Chlorophenylthio)adenine (CAS 696574-61-5), with molecular formula C11H8ClN5S and molecular weight 277.02 g/mol. IUPAC: 8-(4-chlorophenyl)sulfanyl-7H-purin-6-amine.
Chemical Property Profile of 8-(4-Chlorophenylthio)adenine
Property Insights of 8-(4-Chlorophenylthio)adenine
The XLogP value of 2.7397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-Chlorophenylthio)adenine. The TPSA of 80.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-Chlorophenylthio)adenine. Following Lipinski's Rule of Five, 8-(4-Chlorophenylthio)adenine has 2 hydrogen bond donor(s) and 5 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-(4-Chlorophenylthio)adenine?
The CAS number of 8-(4-Chlorophenylthio)adenine is 696574-61-5.
What is the molecular formula of 8-(4-Chlorophenylthio)adenine?
The molecular formula of 8-(4-Chlorophenylthio)adenine is C11H8ClN5S.
What is the molecular weight of 8-(4-Chlorophenylthio)adenine?
The molecular weight of 8-(4-Chlorophenylthio)adenine is 277.02 g/mol.
Where can I buy 8-(4-Chlorophenylthio)adenine?
You can request a quote for 8-(4-Chlorophenylthio)adenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-Chlorophenylthio)adenine?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-Chlorophenylthio)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.