6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine
TL;DR: 6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine (CAS 94571-97-8) is a chemical compound with molecular formula C16H19N5S and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-9-(2-methylpropyl)purin-2-amine
Also Known As: 6-benzylsulfanyl-9- purin-2-amine, 6-benzylsulfanyl-9-(2-methylpropyl)purin-2-amine, 6-(Benzylthio)-9-isobutyl-9H-purin-2-amine, [6-(benzylthio)-9-isobutyl-purin-2-yl]amine, 9-Isobutyl-2-amino-6-benzylmercapto-9H-purin
| Molecular Formula | C16H19N5S |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.1361 |
| Heavy Atoms | 22 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 94571-97-8 |
|---|---|
| SMILES | CC(C)CN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3)N |
| InChIKey | NMYLQUCXBWTJHH-UHFFFAOYSA-N |
Product Overview
6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine (CAS 94571-97-8), with molecular formula C16H19N5S and molecular weight 313.14 g/mol. IUPAC: 6-benzylsulfanyl-9-(2-methylpropyl)purin-2-amine.
Chemical Property Profile of 6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine
Property Insights of 6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine
The XLogP value of 3.3 indicates that 6-Benzylsulfanyl-9-(2-methylpropyl)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 6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine. Following Lipinski's Rule of Five, 6-Benzylsulfanyl-9-(2-methylpropyl)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 6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine?
The CAS number of 6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine is 94571-97-8.
What is the molecular formula of 6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine?
The molecular formula of 6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine is C16H19N5S.
What is the molecular weight of 6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine?
The molecular weight of 6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine is 313.14 g/mol.
Where can I buy 6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine?
You can request a quote for 6-Benzylsulfanyl-9-(2-methylpropyl)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-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzylsulfanyl-9-(2-methylpropyl)purin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.