![4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid structure](/static/products/100/1004370-04-0.png)
4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
TL;DR: 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid (CAS 1004370-04-0) is a chemical compound with molecular formula C18H13BrN2O4 and molecular weight 400.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
Also Known As: 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid, 4-[3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enamido]benzoic acid, 4-[[(E)-3-(5-bromo-2-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic Acid
| Molecular Formula | C18H13BrN2O4 |
|---|---|
| Molecular Weight | 400.01 g/mol |
| LogP | 3.70158 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.00586 |
| Heavy Atoms | 25 |
| Complexity | 882.93933 |
Chemical Identifiers
| CAS Number | 1004370-04-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid (CAS 1004370-04-0), with molecular formula C18H13BrN2O4 and molecular weight 400.01 g/mol. IUPAC: 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
Property Insights of 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
The XLogP value of 3.70158 indicates that 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid has 2 hydrogen bond donor(s) and 4 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-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid?
The CAS number of 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid is 1004370-04-0.
What is the molecular formula of 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid?
The molecular formula of 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid is C18H13BrN2O4.
What is the molecular weight of 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid?
The molecular weight of 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid is 400.01 g/mol.
Where can I buy 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid?
You can request a quote for 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]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 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.