2-(4-Chlorophenyl)butanoic acid
TL;DR: 2-(4-Chlorophenyl)butanoic acid (CAS 29645-00-9) 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.
2-(4-chlorophenyl)butanoic acid
Also Known As: 2-(4-chlorophenyl)butanoic acid, Fmoc-D-Lys-OH, 2-(p-Chlorophenyl)butyric acid, 4-Chlorophenylbutyric acid, 2-(4-chlorophenyl)butanoicacid
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.9 |
| 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 | 29645-00-9 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)Cl)C(=O)O |
| InChIKey | CVZHTBMFVPENFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)butanoic acid (CAS 29645-00-9), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 2-(4-chlorophenyl)butanoic acid.
Chemical Property Profile of 2-(4-Chlorophenyl)butanoic acid
Property Insights of 2-(4-Chlorophenyl)butanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)butanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(4-Chlorophenyl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(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 2-(4-Chlorophenyl)butanoic acid?
The CAS number of 2-(4-Chlorophenyl)butanoic acid is 29645-00-9.
What is the molecular formula of 2-(4-Chlorophenyl)butanoic acid?
The molecular formula of 2-(4-Chlorophenyl)butanoic acid is C10H11ClO2.
What is the molecular weight of 2-(4-Chlorophenyl)butanoic acid?
The molecular weight of 2-(4-Chlorophenyl)butanoic acid is 198.04 g/mol.
Where can I buy 2-(4-Chlorophenyl)butanoic acid?
You can request a quote for 2-(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 2-(4-Chlorophenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.