![N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide structure](/static/products/4319/431997-68-1.webp)
N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide
TL;DR: N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide (CAS 431997-68-1) is a chemical compound with molecular formula C22H18ClN5O4 and molecular weight 451.10 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]-4-ethoxy-3-nitrobenzamide
Also Known As: AN-465/40934813, N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide, N-[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide, N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]-4-ethoxy-3-nitro-benzamide, N-[2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide
| Molecular Formula | C22H18ClN5O4 |
|---|---|
| Molecular Weight | 451.10 g/mol |
| LogP | 4.94152 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.10474 |
| Heavy Atoms | 32 |
| Complexity | 1351.6614 |
Chemical Identifiers
| CAS Number | 431997-68-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)C)Cl)[N+](=O)[O-] |
Product Overview
N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide (CAS 431997-68-1), with molecular formula C22H18ClN5O4 and molecular weight 451.10 g/mol. IUPAC: N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide.
Chemical Property Profile of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide
Property Insights of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide
The XLogP value of 4.94152 indicates that N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide has 1 hydrogen bond donor(s) and 6 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]-4-ethoxy-3-nitrobenzamide?
The CAS number of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide is 431997-68-1.
What is the molecular formula of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide?
The molecular formula of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide is C22H18ClN5O4.
What is the molecular weight of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide?
The molecular weight of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide is 451.10 g/mol.
Where can I buy N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide?
You can request a quote for N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-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]-4-ethoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.