4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid
TL;DR: 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid (CAS 80552-14-3) is a chemical compound with molecular formula C10H11ClO3 and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-4-hydroxybutanoic acid
Also Known As: Baclofen Impurity 2, 3-(4-chlorophenyl)-4-hydroxybutanoic acid, 3- -4-hydroxybutyricAcid, 3-(4-Chlorophenyl)-4-hydroxybutyric acid, 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid
| Molecular Formula | C10H11ClO3 |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 1.8906 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.03967 |
| Heavy Atoms | 14 |
| Complexity | 307.64807 |
Chemical Identifiers
| CAS Number | 80552-14-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CC(=O)O)CO)Cl |
Product Overview
4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid (CAS 80552-14-3), with molecular formula C10H11ClO3 and molecular weight 214.04 g/mol. IUPAC: 3-(4-chlorophenyl)-4-hydroxybutanoic acid.
Chemical Property Profile of 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid
Property Insights of 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid
The XLogP value of 1.8906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid. With a topological polar surface area (TPSA) of 57.53 Ų, 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid has 2 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-Chloro-beta-(hydroxymethyl)benzenepropanoic acid?
The CAS number of 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid is 80552-14-3.
What is the molecular formula of 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid?
The molecular formula of 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid is C10H11ClO3.
What is the molecular weight of 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid?
The molecular weight of 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid is 214.04 g/mol.
Where can I buy 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid?
You can request a quote for 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.