![4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid structure](/static/products/3402/340229-82-5.webp)
4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid
TL;DR: 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid (CAS 340229-82-5) is a chemical compound with molecular formula C25H20N2O5 and molecular weight 428.14 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-methoxyphenoxy]methyl]benzoic acid
Also Known As: 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid, 4-{[4-(3-anilino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenoxy]methyl}benzoic acid, 4-({4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}methyl)benzoic acid, 4-[[4-[(Z)-3-anilino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid, 4-[[4-[(Z)-3-anilino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid
| Molecular Formula | C25H20N2O5 |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 4.51808 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.1372 |
| Heavy Atoms | 32 |
| Complexity | 1179.2042 |
Chemical Identifiers
| CAS Number | 340229-82-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid (CAS 340229-82-5), with molecular formula C25H20N2O5 and molecular weight 428.14 g/mol. IUPAC: 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid
Property Insights of 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid
The XLogP value of 4.51808 indicates that 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-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-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]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
Frequently Asked Questions
What is the CAS number of 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid?
The CAS number of 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid is 340229-82-5.
What is the molecular formula of 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid?
The molecular formula of 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid is C25H20N2O5.
What is the molecular weight of 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid?
The molecular weight of 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid is 428.14 g/mol.
Where can I buy 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid?
You can request a quote for 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-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-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.