N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide
TL;DR: N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide (CAS 478046-01-4) is a chemical compound with molecular formula C10H7F3N4O and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide
Also Known As: Bionet2_000378, N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide, SDCCGMLS-0065369.P001, N-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide, N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzenecarboxamide
| Molecular Formula | C10H7F3N4O |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 1.6808 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.0572 |
| Heavy Atoms | 18 |
| Complexity | 550.5005 |
Chemical Identifiers
| CAS Number | 478046-01-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NN2C=NN=C2 |
Product Overview
N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide (CAS 478046-01-4), with molecular formula C10H7F3N4O and molecular weight 256.06 g/mol. IUPAC: N-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide
Property Insights of N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide
The XLogP value of 1.6808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide. With a topological polar surface area (TPSA) of 59.81 Ų, N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide has 1 hydrogen bond donor(s) and 3 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 N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide?
The CAS number of N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide is 478046-01-4.
What is the molecular formula of N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide?
The molecular formula of N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide is C10H7F3N4O.
What is the molecular weight of N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide?
The molecular weight of N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide is 256.06 g/mol.
Where can I buy N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide?
You can request a quote for N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4H-1,2,4-triazol-4-yl)-3-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.