![4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid structure](/static/products/5661/566191-76-2.webp)
4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid
TL;DR: 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid (CAS 566191-76-2) is a chemical compound with molecular formula C17H10ClN3O5 and molecular weight 371.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(Z)-3-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
Also Known As: 4-[3-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid
| Molecular Formula | C17H10ClN3O5 |
|---|---|
| Molecular Weight | 371.03 g/mol |
| LogP | 3.49208 |
| Topological Polar Surface Area | 133.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.03088 |
| Heavy Atoms | 26 |
| Complexity | 961.3539 |
Chemical Identifiers
| CAS Number | 566191-76-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=O)/C(=C\C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/C#N |
Product Overview
4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid (CAS 566191-76-2), with molecular formula C17H10ClN3O5 and molecular weight 371.03 g/mol. IUPAC: 4-[[(Z)-3-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid
Property Insights of 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid
The XLogP value of 3.49208 indicates that 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid. Following Lipinski's Rule of Five, 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid has 2 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-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid?
The CAS number of 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid is 566191-76-2.
What is the molecular formula of 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid?
The molecular formula of 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid is C17H10ClN3O5.
What is the molecular weight of 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid?
The molecular weight of 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid is 371.03 g/mol.
Where can I buy 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid?
You can request a quote for 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(4-Chloro-3-nitrophenyl)-2-cyanoprop-2-enamido]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.