![3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid structure](/static/products/3804/380475-41-2.webp)
3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid
TL;DR: 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid (CAS 380475-41-2) is a chemical compound with molecular formula C19H15ClN2O5 and molecular weight 386.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
Also Known As: A3039/0128259, 3-[3-(3-chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoic acid, 3-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid, 3-{[3-(3-CHLORO-4,5-DIMETHOXYPHENYL)-2-CYANOACRYLOYL]AMINO}BENZOIC ACID
| Molecular Formula | C19H15ClN2O5 |
|---|---|
| Molecular Weight | 386.07 g/mol |
| LogP | 3.60108 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.06696 |
| Heavy Atoms | 27 |
| Complexity | 963.05774 |
Chemical Identifiers
| CAS Number | 380475-41-2 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)O)Cl)OC |
Product Overview
3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid (CAS 380475-41-2), with molecular formula C19H15ClN2O5 and molecular weight 386.07 g/mol. IUPAC: 3-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid
Property Insights of 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid
The XLogP value of 3.60108 indicates that 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}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 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid?
The CAS number of 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid is 380475-41-2.
What is the molecular formula of 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid?
The molecular formula of 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid is C19H15ClN2O5.
What is the molecular weight of 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid?
The molecular weight of 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid is 386.07 g/mol.
Where can I buy 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid?
You can request a quote for 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoacryloyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.