3-(4-Chlorophenyl)butanoic acid
TL;DR: 3-(4-Chlorophenyl)butanoic acid (CAS 5324-15-2) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)butanoic acid
Also Known As: 3-(4-chlorophenyl)butanoic acid, 3-(4-chlorophenyl)butanoicacid, 3-(4-Chlorophenyl)butyric acid, 3-(p-chlorophenyl)-butyric acid, 3-(4-Chlor-phenyl)-buttersaeure
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 5324-15-2 |
|---|---|
| SMILES | CC(CC(=O)O)C1=CC=C(C=C1)Cl |
| InChIKey | LLKLMXXUXVQSIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Chlorophenyl)butanoic acid (CAS 5324-15-2), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 3-(4-chlorophenyl)butanoic acid.
Chemical Property Profile of 3-(4-Chlorophenyl)butanoic acid
Property Insights of 3-(4-Chlorophenyl)butanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)butanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-Chlorophenyl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)butanoic 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 3-(4-Chlorophenyl)butanoic acid?
The CAS number of 3-(4-Chlorophenyl)butanoic acid is 5324-15-2.
What is the molecular formula of 3-(4-Chlorophenyl)butanoic acid?
The molecular formula of 3-(4-Chlorophenyl)butanoic acid is C10H11ClO2.
What is the molecular weight of 3-(4-Chlorophenyl)butanoic acid?
The molecular weight of 3-(4-Chlorophenyl)butanoic acid is 198.04 g/mol.
Where can I buy 3-(4-Chlorophenyl)butanoic acid?
You can request a quote for 3-(4-Chlorophenyl)butanoic 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-Chlorophenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.