8-(4-methylsulfanylphenyl)-7H-purin-6-amine
TL;DR: 8-(4-methylsulfanylphenyl)-7H-purin-6-amine (CAS 42447-60-9) is a chemical compound with molecular formula C12H11N5S and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-methylsulfanylphenyl)-7H-purin-6-amine
Also Known As: 8-(4-methylsulfanylphenyl)-7H-purin-6-amine, 8-[4-(Methylsulfanyl)phenyl]-7H-purin-6-amine
| Molecular Formula | C12H11N5S |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.07352 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 42447-60-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2=NC3=NC=NC(=C3N2)N |
| InChIKey | ALZMLVYFWIDWQB-UHFFFAOYSA-N |
Product Overview
8-(4-methylsulfanylphenyl)-7H-purin-6-amine (CAS 42447-60-9), with molecular formula C12H11N5S and molecular weight 257.07 g/mol. IUPAC: 8-(4-methylsulfanylphenyl)-7H-purin-6-amine.
Chemical Property Profile of 8-(4-methylsulfanylphenyl)-7H-purin-6-amine
Property Insights of 8-(4-methylsulfanylphenyl)-7H-purin-6-amine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-methylsulfanylphenyl)-7H-purin-6-amine. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-methylsulfanylphenyl)-7H-purin-6-amine. Following Lipinski's Rule of Five, 8-(4-methylsulfanylphenyl)-7H-purin-6-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 8-(4-methylsulfanylphenyl)-7H-purin-6-amine?
The CAS number of 8-(4-methylsulfanylphenyl)-7H-purin-6-amine is 42447-60-9.
What is the molecular formula of 8-(4-methylsulfanylphenyl)-7H-purin-6-amine?
The molecular formula of 8-(4-methylsulfanylphenyl)-7H-purin-6-amine is C12H11N5S.
What is the molecular weight of 8-(4-methylsulfanylphenyl)-7H-purin-6-amine?
The molecular weight of 8-(4-methylsulfanylphenyl)-7H-purin-6-amine is 257.07 g/mol.
Where can I buy 8-(4-methylsulfanylphenyl)-7H-purin-6-amine?
You can request a quote for 8-(4-methylsulfanylphenyl)-7H-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 8-(4-methylsulfanylphenyl)-7H-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-methylsulfanylphenyl)-7H-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.