N-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
TL;DR: N-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide (CAS 338408-08-5) is a chemical compound with molecular formula C12H13N5O3 and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide
Also Known As: 3G-344S, 3-nitro-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide, N-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide, N-Isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide, 3-nitro-N-(propan-2-yl)-4-(1H-1,2,4-triazol-1-yl)benzamide
| Molecular Formula | C12H13N5O3 |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | 1.3137 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.10184 |
| Heavy Atoms | 20 |
| Complexity | 636.5473 |
Chemical Identifiers
| CAS Number | 338408-08-5 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-] |
Product Overview
N-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide (CAS 338408-08-5), with molecular formula C12H13N5O3 and molecular weight 275.10 g/mol. IUPAC: 3-nitro-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide.
Chemical Property Profile of N-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
Property Insights of N-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
The XLogP value of 1.3137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isopropyl-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-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide. Following Lipinski's Rule of Five, N-isopropyl-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-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The CAS number of N-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is 338408-08-5.
What is the molecular formula of N-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The molecular formula of N-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is C12H13N5O3.
What is the molecular weight of N-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The molecular weight of N-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is 275.10 g/mol.
Where can I buy N-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
You can request a quote for N-isopropyl-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-isopropyl-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-isopropyl-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.