N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
TL;DR: N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide (CAS 338407-88-8) is a chemical compound with molecular formula C15H9F2N5O3 and molecular weight 345.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
Also Known As: 3G-317S, N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide, N-(2,4-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide, N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide
| Molecular Formula | C15H9F2N5O3 |
|---|---|
| Molecular Weight | 345.07 g/mol |
| LogP | 2.706 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.06735 |
| Heavy Atoms | 25 |
| Complexity | 959.8056 |
Chemical Identifiers
| CAS Number | 338407-88-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)NC2=C(C=C(C=C2)F)F)[N+](=O)[O-])N3C=NC=N3 |
Product Overview
N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide (CAS 338407-88-8), with molecular formula C15H9F2N5O3 and molecular weight 345.07 g/mol. IUPAC: N-(2,4-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide.
Chemical Property Profile of N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
Property Insights of N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
The XLogP value of 2.706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide. Following Lipinski's Rule of Five, N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide has 1 hydrogen bond donor(s) and 5 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-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The CAS number of N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is 338407-88-8.
What is the molecular formula of N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The molecular formula of N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is C15H9F2N5O3.
What is the molecular weight of N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The molecular weight of N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is 345.07 g/mol.
Where can I buy N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
You can request a quote for N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-difluorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.