![N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide structure](/static/products/4319/431998-83-3.webp)
N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide
TL;DR: N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide (CAS 431998-83-3) is a chemical compound with molecular formula C21H16ClN5O3 and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide
Also Known As: AN-465/40934815, N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide, N-[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]-2-methyl-3-nitrobenzamide, N-[2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-nitro-2-methylbenzamide, N-[2-(3-chloro-4-methylphenyl)(2-hydrobenzotriazol-5-yl)](2-methyl-3-nitrophen yl)carboxamide
| Molecular Formula | C21H16ClN5O3 |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 4.85124 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.09418 |
| Heavy Atoms | 30 |
| Complexity | 1315.4934 |
Chemical Identifiers
| CAS Number | 431998-83-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)Cl |
Product Overview
N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide (CAS 431998-83-3), with molecular formula C21H16ClN5O3 and molecular weight 421.09 g/mol. IUPAC: N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide
Property Insights of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide
The XLogP value of 4.85124 indicates that N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide 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-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide?
The CAS number of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide is 431998-83-3.
What is the molecular formula of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide?
The molecular formula of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide is C21H16ClN5O3.
What is the molecular weight of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide?
The molecular weight of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide is 421.09 g/mol.
Where can I buy N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide?
You can request a quote for N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.