![3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide structure](/static/products/4319/431920-85-3.webp)
3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
TL;DR: 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide (CAS 431920-85-3) is a chemical compound with molecular formula C21H17ClN4O and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
Also Known As: 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide, 3-chloro-N-[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]benzamide, 3-chloro-N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide
| Molecular Formula | C21H17ClN4O |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 4.8886 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.1091 |
| Heavy Atoms | 27 |
| Complexity | 1118.7019 |
Chemical Identifiers
| CAS Number | 431920-85-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC=C4)Cl |
Product Overview
3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide (CAS 431920-85-3), with molecular formula C21H17ClN4O and molecular weight 376.11 g/mol. IUPAC: 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide.
Chemical Property Profile of 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
Property Insights of 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
The XLogP value of 4.8886 indicates that 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide has 1 hydrogen bond donor(s) and 3 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 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide?
The CAS number of 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide is 431920-85-3.
What is the molecular formula of 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide?
The molecular formula of 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide is C21H17ClN4O.
What is the molecular weight of 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide?
The molecular weight of 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide is 376.11 g/mol.
Where can I buy 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide?
You can request a quote for 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.