(Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid
TL;DR: (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid (CAS 340316-90-7) is a chemical compound with molecular formula C25H19ClN2O5 and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-methoxyphenoxy]methyl]benzoic acid
Also Known As: (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid, 4-({2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}methyl)benzoic acid, 4-[[2-chloro-4-[2-cyano-2-(phenylcarbamoyl)ethenyl]-6-methoxy-phenoxy]methyl]benzoic Acid, 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-methoxyphenoxy]methyl]benzoic acid
| Molecular Formula | C25H19ClN2O5 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 5.17148 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.09824 |
| Heavy Atoms | 33 |
| Complexity | 1232.1472 |
Chemical Identifiers
| CAS Number | 340316-90-7 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=CC=C2)Cl)OCC3=CC=C(C=C3)C(=O)O |
Product Overview
(Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid (CAS 340316-90-7), with molecular formula C25H19ClN2O5 and molecular weight 462.10 g/mol. IUPAC: 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid
Property Insights of (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid
The XLogP value of 5.17148 indicates that (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-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 (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-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 (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid?
The CAS number of (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid is 340316-90-7.
What is the molecular formula of (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid?
The molecular formula of (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid is C25H19ClN2O5.
What is the molecular weight of (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid?
The molecular weight of (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid is 462.10 g/mol.
Where can I buy (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid?
You can request a quote for (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-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 (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.