![4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid structure](/static/products/591/5911-45-5.png)
4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid
TL;DR: 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid (CAS 5911-45-5) is a chemical compound with molecular formula C25H18BrClN2O5 and molecular weight 540.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-bromo-4-[(Z)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid
Also Known As: 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid, 4-[[5-bromo-4-[(Z)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid
| Molecular Formula | C25H18BrClN2O5 |
|---|---|
| Molecular Weight | 540.01 g/mol |
| LogP | 5.93398 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.0088 |
| Heavy Atoms | 34 |
| Complexity | 1282.3984 |
Chemical Identifiers
| CAS Number | 5911-45-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C=C(/C#N)\C(=O)NC2=CC=C(C=C2)Cl)Br)OCC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid (CAS 5911-45-5), with molecular formula C25H18BrClN2O5 and molecular weight 540.01 g/mol. IUPAC: 4-[[5-bromo-4-[(Z)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid
Property Insights of 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid
The XLogP value of 5.93398 indicates that 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]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 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]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 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid?
The CAS number of 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid is 5911-45-5.
What is the molecular formula of 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid?
The molecular formula of 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid is C25H18BrClN2O5.
What is the molecular weight of 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid?
The molecular weight of 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid is 540.01 g/mol.
Where can I buy 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid?
You can request a quote for 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]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-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.