![4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid structure](/static/products/3403/340308-94-3.webp)
4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid
TL;DR: 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid (CAS 340308-94-3) is a chemical compound with molecular formula C24H18N2O4 and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid
Also Known As: 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid, 4-[[4-[2-cyano-2-(phenylcarbamoyl)ethenyl]phenoxy]methyl]benzoic Acid, 4-({4-[2-cyano-2-(phenylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoic acid
| Molecular Formula | C24H18N2O4 |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 4.50948 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.12665 |
| Heavy Atoms | 30 |
| Complexity | 1096.6978 |
Chemical Identifiers
| CAS Number | 340308-94-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)/C#N |
Product Overview
4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid (CAS 340308-94-3), with molecular formula C24H18N2O4 and molecular weight 398.13 g/mol. IUPAC: 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid
Property Insights of 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid
The XLogP value of 4.50948 indicates that 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid has 2 hydrogen bond donor(s) and 4 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-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid?
The CAS number of 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid is 340308-94-3.
What is the molecular formula of 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid?
The molecular formula of 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid is C24H18N2O4.
What is the molecular weight of 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid?
The molecular weight of 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid is 398.13 g/mol.
Where can I buy 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid?
You can request a quote for 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]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-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.