9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine
TL;DR: 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine (CAS 125802-48-4) is a chemical compound with molecular formula C19H16ClN5S and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine
Also Known As: 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine, 9-Benzyl-2-chloro-N-(4-(methylthio)phenyl)-9H-purin-6-amine, 9-Benzyl-2-chloro-6-(4-methylthiophenylamino)-9H-purine, 9-Benzyl-2-chloro-N-[4-(methylsulfanyl)phenyl]-9H-purin-6-amine, 9H-Purin-6-amine, 2-chloro-N-(4-(methylthio)phenyl)-9-(phenylmethyl)-
| Molecular Formula | C19H16ClN5S |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | 4.9935 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.08148 |
| Heavy Atoms | 26 |
| Complexity | 1031.1804 |
Chemical Identifiers
| CAS Number | 125802-48-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)NC2=C3C(=NC(=N2)Cl)N(C=N3)CC4=CC=CC=C4 |
Product Overview
9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine (CAS 125802-48-4), with molecular formula C19H16ClN5S and molecular weight 381.08 g/mol. IUPAC: 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine.
Chemical Property Profile of 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine
Property Insights of 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine
The XLogP value of 4.9935 indicates that 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.63 Ų, 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine has 1 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 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine?
The CAS number of 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine is 125802-48-4.
What is the molecular formula of 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine?
The molecular formula of 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine is C19H16ClN5S.
What is the molecular weight of 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine?
The molecular weight of 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine is 381.08 g/mol.
Where can I buy 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine?
You can request a quote for 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.