![4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid structure](/static/products/5255/525596-98-9.webp)
4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid
TL;DR: 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid (CAS 525596-98-9) is a chemical compound with molecular formula C16H11ClO3 and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzoic acid
Also Known As: 4-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzoic acid, 4-[3-(4-chlorophenyl)-3-oxo-prop-1-enyl]benzoic Acid, (E)-4-(3-(4-Chlorophenyl)-3-oxoprop-1-en-1-yl)benzoic acid
| Molecular Formula | C16H11ClO3 |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 3.9343 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.03967 |
| Heavy Atoms | 20 |
| Complexity | 655.1263 |
Chemical Identifiers
| CAS Number | 525596-98-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid (CAS 525596-98-9), with molecular formula C16H11ClO3 and molecular weight 286.04 g/mol. IUPAC: 4-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzoic acid.
Chemical Property Profile of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid
Property Insights of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid
The XLogP value of 3.9343 indicates that 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid has 1 hydrogen bond donor(s) and 2 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-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid?
The CAS number of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid is 525596-98-9.
What is the molecular formula of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid?
The molecular formula of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid is C16H11ClO3.
What is the molecular weight of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid?
The molecular weight of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid is 286.04 g/mol.
Where can I buy 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid?
You can request a quote for 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]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-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.