![9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine structure](/static/products/1952/1952-11-0.webp)
9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine
TL;DR: 9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine (CAS 1952-11-0) is a chemical compound with molecular formula C16H18FN5S and molecular weight 331.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine
Also Known As: 9-butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine, 9-Butyl-6-((3-fluorobenzyl)thio)-9H-purin-2-amine, 9-butyl-6-[(3-fluorobenzyl)sulfanyl]-9h-purin-2-amine, 9-butyl-6-(3-fluoro-benzylsulfanyl)-9H-purin-2-ylamine, 9H-Purin-2-amine,9-butyl-6-[[(3-fluorophenyl)methyl]thio]-
| Molecular Formula | C16H18FN5S |
|---|---|
| Molecular Weight | 331.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.1267 |
| Heavy Atoms | 23 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 1952-11-0 |
|---|---|
| SMILES | CCCCN1C=NC2=C1N=C(N=C2SCC3=CC(=CC=C3)F)N |
| InChIKey | MVLJYUYNEUBQSR-UHFFFAOYSA-N |
Product Overview
9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine (CAS 1952-11-0), with molecular formula C16H18FN5S and molecular weight 331.13 g/mol. IUPAC: 9-butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine.
Chemical Property Profile of 9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine
Property Insights of 9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine
The XLogP value of 3.3 indicates that 9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]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-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine. Following Lipinski's Rule of Five, 9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine has 1 hydrogen bond donor(s) and 6 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-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine?
The CAS number of 9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine is 1952-11-0.
What is the molecular formula of 9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine?
The molecular formula of 9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine is C16H18FN5S.
What is the molecular weight of 9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine?
The molecular weight of 9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine is 331.13 g/mol.
Where can I buy 9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine?
You can request a quote for 9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]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-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-Butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.