9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine
TL;DR: 9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine (CAS 1643-91-0) is a chemical compound with molecular formula C13H10F3N5 and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-6-(trifluoromethyl)purin-2-amine
Also Known As: 9-benzyl-6-(trifluoromethyl)-9h-purin-2-amine, 9-benzyl-6-(trifluoromethyl)purin-2-amine, 2-Amino-9-benzyl-6-trifluormethyl-purin, 9H-Purin-2-amine,9-(phenylmethyl)-6-(trifluoromethyl)-
| Molecular Formula | C13H10F3N5 |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.08884 |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 1643-91-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N)C(F)(F)F |
| InChIKey | PPAWYMYPHFUEOB-UHFFFAOYSA-N |
Product Overview
9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine (CAS 1643-91-0), with molecular formula C13H10F3N5 and molecular weight 293.09 g/mol. IUPAC: 9-benzyl-6-(trifluoromethyl)purin-2-amine.
Chemical Property Profile of 9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine
Property Insights of 9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine. Following Lipinski's Rule of Five, 9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine has 1 hydrogen bond donor(s) and 7 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-(trifluoromethyl)-9h-purin-2-amine?
The CAS number of 9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine is 1643-91-0.
What is the molecular formula of 9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine?
The molecular formula of 9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine is C13H10F3N5.
What is the molecular weight of 9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine?
The molecular weight of 9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine is 293.09 g/mol.
Where can I buy 9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine?
You can request a quote for 9-Benzyl-6-(trifluoromethyl)-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-(trifluoromethyl)-9h-purin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzyl-6-(trifluoromethyl)-9h-purin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.