9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-
TL;DR: 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)- (CAS 477726-01-5) is a chemical compound with molecular formula C13H9F3N6O2 and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)purin-6-amine
Also Known As: 4-bromo-1-tert-butyl-2-chloro-benzene, N-Methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-9H-purin-6-amine, 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)purin-6-amine
| Molecular Formula | C13H9F3N6O2 |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 2.7842 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.0739 |
| Heavy Atoms | 24 |
| Complexity | 937.092 |
Chemical Identifiers
| CAS Number | 477726-01-5 |
|---|---|
| SMILES | CNC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)- (CAS 477726-01-5), with molecular formula C13H9F3N6O2 and molecular weight 338.07 g/mol. IUPAC: N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)purin-6-amine.
Chemical Property Profile of 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-
Property Insights of 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-
The XLogP value of 2.7842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-. Following Lipinski's Rule of Five, 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)- 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 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-?
The CAS number of 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)- is 477726-01-5.
What is the molecular formula of 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-?
The molecular formula of 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)- is C13H9F3N6O2.
What is the molecular weight of 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-?
The molecular weight of 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)- is 338.07 g/mol.
Where can I buy 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-?
You can request a quote for 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purin-6-amine, N-methyl-9-(3-nitrophenyl)-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.