![4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid structure](/static/products/100/1004370-04-0.webp)
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 400.00586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C18H13BrN2O4 |
| Molecular Weight | 400.00586 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.00586 Da |
| Heavy Atoms | 25 |
| Complexity | 575.0 |
| SMILES | COC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O |
| InChIKey | FBVSYQMMNKLCSL-MDWZMJQESA-N |
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 3.9 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 99.4 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 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 400.00586 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid?
Yes, CoreyChem 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.