![2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide structure](/static/products/3126/312635-52-2.webp)
2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 312635-52-2) is a chemical compound with molecular formula C11H8F3N5O3 and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 00535129, 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide, 2-(3-Nitro-[1,2,4]triazol-1-yl)-N-(3-trifluoromethyl-phenyl)-acetamide, 2-(3-nitro(1,2,4-triazolyl))-N-[3-(trifluoromethyl)phenyl]acetamide, 2-(3-nitro-1H-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C11H8F3N5O3 |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.05792 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 312635-52-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CN2C=NC(=N2)[N+](=O)[O-])C(F)(F)F |
| InChIKey | FLNLVLQTKILKIZ-UHFFFAOYSA-N |
Product Overview
2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 312635-52-2), with molecular formula C11H8F3N5O3 and molecular weight 315.06 g/mol. IUPAC: 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has 1 hydrogen bond donor(s) and 8 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 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is 312635-52-2.
What is the molecular formula of 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is C11H8F3N5O3.
What is the molecular weight of 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is 315.06 g/mol.
Where can I buy 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.