4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid
TL;DR: 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid (CAS 119757-24-3) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-acetyl-3-oxobut-1-enyl)benzoic acid
Also Known As: 4-(2-acetyl-3-oxobut-1-enyl)benzoic acid, 4-(2-acetyl-3-oxo-1-butenyl)benzenecarboxylic acid, 3-(4-Carboxybenzylidene)-2,4-pentanedione, 4-(2-acetyl-3-oxobut-1-en-1-yl)benzoic acid, 4-(2-acetyl-3-oxo-but-1-enyl)benzoic Acid
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 1.9462 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 478.65567 |
Chemical Identifiers
| CAS Number | 119757-24-3 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)C |
Product Overview
4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid (CAS 119757-24-3), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: 4-(2-acetyl-3-oxobut-1-enyl)benzoic acid.
Chemical Property Profile of 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid
Property Insights of 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid
The XLogP value of 1.9462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid. Following Lipinski's Rule of Five, 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid has 1 hydrogen bond donor(s) and 3 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-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid?
The CAS number of 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid is 119757-24-3.
What is the molecular formula of 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid?
The molecular formula of 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid is C13H12O4.
What is the molecular weight of 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid?
The molecular weight of 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid is 232.07 g/mol.
Where can I buy 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid?
You can request a quote for 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Acetyl-3-oxo-1-butenyl)benzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.