![4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide structure](/static/products/4319/431979-98-5.webp)
4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide
TL;DR: 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide (CAS 431979-98-5) 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.
4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide
Also Known As: 4-chloro-N-[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide, 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide, 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitro-benzamide
| Molecular Formula | C21H16ClN5O3 |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 4.7968 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.09418 |
| Heavy Atoms | 30 |
| Complexity | 1267.6234 |
Chemical Identifiers
| CAS Number | 431979-98-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide (CAS 431979-98-5), with molecular formula C21H16ClN5O3 and molecular weight 421.09 g/mol. IUPAC: 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide
Property Insights of 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide
The XLogP value of 4.7968 indicates that 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-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 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-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 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide?
The CAS number of 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide is 431979-98-5.
What is the molecular formula of 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide?
The molecular formula of 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide is C21H16ClN5O3.
What is the molecular weight of 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide?
The molecular weight of 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide is 421.09 g/mol.
Where can I buy 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide?
You can request a quote for 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.