4-Chloromandelic acid
TL;DR: 4-Chloromandelic acid (CAS 492-86-4) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-hydroxyacetic acid
Also Known As: 4-CHLOROMANDELIC ACID, 2-(4-chlorophenyl)-2-hydroxyacetic acid, p-Chloromandelic acid, 4-Chloro-DL-mandelic acid, P-chloro mandelic acid
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 492-86-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(=O)O)O)Cl |
| InChIKey | BWSFWXSSALIZAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloromandelic acid (CAS 492-86-4), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: 2-(4-chlorophenyl)-2-hydroxyacetic acid.
Chemical Property Profile of 4-Chloromandelic acid
Property Insights of 4-Chloromandelic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloromandelic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Chloromandelic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloromandelic acid has 2 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-Chloromandelic acid?
The CAS number of 4-Chloromandelic acid is 492-86-4.
What is the molecular formula of 4-Chloromandelic acid?
The molecular formula of 4-Chloromandelic acid is C8H7ClO3.
What is the molecular weight of 4-Chloromandelic acid?
The molecular weight of 4-Chloromandelic acid is 186.01 g/mol.
Where can I buy 4-Chloromandelic acid?
You can request a quote for 4-Chloromandelic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloromandelic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloromandelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.