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6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine
TL;DR: 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine (CAS 5069-76-1) is a chemical compound with molecular formula C12H10ClN5S and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine
Also Known As: 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine, 6-[(4-chlorophenyl)methylsulfanyl]-5H-purin-2-amine, 6-{[(4-Chlorophenyl)methyl]sulfanyl}-7H-purin-2-amine
| Molecular Formula | C12H10ClN5S |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 2.8808 |
| Topological Polar Surface Area | 80.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.03455 |
| Heavy Atoms | 19 |
| Complexity | 709.71655 |
Chemical Identifiers
| CAS Number | 5069-76-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC(=NC3=C2NC=N3)N)Cl |
Product Overview
6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine (CAS 5069-76-1), with molecular formula C12H10ClN5S and molecular weight 291.03 g/mol. IUPAC: 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine.
Chemical Property Profile of 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine
Property Insights of 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine
The XLogP value of 2.8808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine. The TPSA of 80.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine. Following Lipinski's Rule of Five, 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine 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 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine?
The CAS number of 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine is 5069-76-1.
What is the molecular formula of 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine?
The molecular formula of 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine is C12H10ClN5S.
What is the molecular weight of 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine?
The molecular weight of 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine is 291.03 g/mol.
Where can I buy 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine?
You can request a quote for 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-chlorophenyl)methylsulfanyl]-7H-purin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.