(S)-2-Chloromandelic acid
TL;DR: (S)-2-Chloromandelic acid (CAS 52950-18-2) 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.
(2S)-2-(2-chlorophenyl)-2-hydroxyacetic acid
Also Known As: (S)-(+)-2-Chloromandelic acid, (S)-2-Chloromandelic acid, (S)-2-(2-Chlorophenyl)-2-hydroxyacetic acid, (s)-o-chloromandelic acid, 2-Chloro-L-mandelic Acid
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 1.458 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 298.10938 |
Chemical Identifiers
| CAS Number | 52950-18-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[C@@H](C(=O)O)O)Cl |
Product Overview
(S)-2-Chloromandelic acid (CAS 52950-18-2), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: (2S)-2-(2-chlorophenyl)-2-hydroxyacetic acid.
Chemical Property Profile of (S)-2-Chloromandelic acid
Property Insights of (S)-2-Chloromandelic acid
The XLogP value of 1.458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-Chloromandelic acid. With a topological polar surface area (TPSA) of 57.53 Ų, (S)-2-Chloromandelic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2-Chloromandelic 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 (S)-2-Chloromandelic acid?
The CAS number of (S)-2-Chloromandelic acid is 52950-18-2.
What is the molecular formula of (S)-2-Chloromandelic acid?
The molecular formula of (S)-2-Chloromandelic acid is C8H7ClO3.
What is the molecular weight of (S)-2-Chloromandelic acid?
The molecular weight of (S)-2-Chloromandelic acid is 186.01 g/mol.
Where can I buy (S)-2-Chloromandelic acid?
You can request a quote for (S)-2-Chloromandelic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-Chloromandelic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-Chloromandelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.