3-(4-Chlorobenzoyl)propionic acid
TL;DR: 3-(4-Chlorobenzoyl)propionic acid (CAS 3984-34-7) is a chemical compound with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-4-oxobutanoic acid
Also Known As: 3-(4-Chlorobenzoyl)propionic acid, 4-(4-Chlorophenyl)-4-oxobutanoic acid, Parachlor, Fenbufen Impurity 8, Maybridge1_006214
| Molecular Formula | C10H9ClO3 |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.02402 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 3984-34-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCC(=O)O)Cl |
| InChIKey | AHVASTJJVAYFPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Chlorobenzoyl)propionic acid (CAS 3984-34-7), with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol. IUPAC: 4-(4-chlorophenyl)-4-oxobutanoic acid.
Chemical Property Profile of 3-(4-Chlorobenzoyl)propionic acid
Property Insights of 3-(4-Chlorobenzoyl)propionic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorobenzoyl)propionic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(4-Chlorobenzoyl)propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorobenzoyl)propionic 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 3-(4-Chlorobenzoyl)propionic acid?
The CAS number of 3-(4-Chlorobenzoyl)propionic acid is 3984-34-7.
What is the molecular formula of 3-(4-Chlorobenzoyl)propionic acid?
The molecular formula of 3-(4-Chlorobenzoyl)propionic acid is C10H9ClO3.
What is the molecular weight of 3-(4-Chlorobenzoyl)propionic acid?
The molecular weight of 3-(4-Chlorobenzoyl)propionic acid is 212.02 g/mol.
Where can I buy 3-(4-Chlorobenzoyl)propionic acid?
You can request a quote for 3-(4-Chlorobenzoyl)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorobenzoyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorobenzoyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.