![3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid structure](/static/products/5226/522657-04-1.webp)
3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
TL;DR: 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid (CAS 522657-04-1) is a chemical compound with molecular formula C27H23BrN2O5 and molecular weight 534.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
Also Known As: 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid, 3-(3-{3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid, 3-[[3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic Acid
| Molecular Formula | C27H23BrN2O5 |
|---|---|
| Molecular Weight | 534.08 g/mol |
| LogP | 5.9791 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 534.07904 |
| Heavy Atoms | 35 |
| Complexity | 1327.3872 |
Chemical Identifiers
| CAS Number | 522657-04-1 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OCC3=CC=CC(=C3)C |
Product Overview
3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid (CAS 522657-04-1), with molecular formula C27H23BrN2O5 and molecular weight 534.08 g/mol. IUPAC: 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
Property Insights of 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
The XLogP value of 5.9791 indicates that 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]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-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid. Following Lipinski's Rule of Five, 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid?
The CAS number of 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid is 522657-04-1.
What is the molecular formula of 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid?
The molecular formula of 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid is C27H23BrN2O5.
What is the molecular weight of 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid?
The molecular weight of 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid is 534.08 g/mol.
Where can I buy 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid?
You can request a quote for 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-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 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.