9-benzyl-6-(benzylthio)-9H-purin-2-amine
TL;DR: 9-benzyl-6-(benzylthio)-9H-purin-2-amine (CAS 94333-07-0) is a chemical compound with molecular formula C19H17N5S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-6-benzylsulfanylpurin-2-amine
Also Known As: 9-benzyl-6-(benzylthio)-9H-purin-2-amine, 9-benzyl-6-benzylsulfanylpurin-2-amine, NCI60_003968, 9-benzyl-6-(benzylsulfanyl)-9h-purin-2-amine, 9-BENZYL-6-BENZYLSULFANYL-PURIN-2-AMINE
| Molecular Formula | C19H17N5S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.12045 |
| Heavy Atoms | 25 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 94333-07-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)N |
| InChIKey | DNNVKRLIFZPYGL-UHFFFAOYSA-N |
Product Overview
9-benzyl-6-(benzylthio)-9H-purin-2-amine (CAS 94333-07-0), with molecular formula C19H17N5S and molecular weight 347.12 g/mol. IUPAC: 9-benzyl-6-benzylsulfanylpurin-2-amine.
Chemical Property Profile of 9-benzyl-6-(benzylthio)-9H-purin-2-amine
Property Insights of 9-benzyl-6-(benzylthio)-9H-purin-2-amine
The XLogP value of 3.6 indicates that 9-benzyl-6-(benzylthio)-9H-purin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-benzyl-6-(benzylthio)-9H-purin-2-amine. Following Lipinski's Rule of Five, 9-benzyl-6-(benzylthio)-9H-purin-2-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-6-(benzylthio)-9H-purin-2-amine?
The CAS number of 9-benzyl-6-(benzylthio)-9H-purin-2-amine is 94333-07-0.
What is the molecular formula of 9-benzyl-6-(benzylthio)-9H-purin-2-amine?
The molecular formula of 9-benzyl-6-(benzylthio)-9H-purin-2-amine is C19H17N5S.
What is the molecular weight of 9-benzyl-6-(benzylthio)-9H-purin-2-amine?
The molecular weight of 9-benzyl-6-(benzylthio)-9H-purin-2-amine is 347.12 g/mol.
Where can I buy 9-benzyl-6-(benzylthio)-9H-purin-2-amine?
You can request a quote for 9-benzyl-6-(benzylthio)-9H-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 9-benzyl-6-(benzylthio)-9H-purin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-benzyl-6-(benzylthio)-9H-purin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.