3-Chloro-4-hydroxymandelic acid
TL;DR: 3-Chloro-4-hydroxymandelic acid (CAS 72198-15-3) is a chemical compound with molecular formula C8H7ClO4 and molecular weight 202.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-hydroxyphenyl)-2-hydroxyacetic acid
Also Known As: 3-Chloro-4-hydroxymandelic acid, 2-(3-chloro-4-hydroxyphenyl)-2-hydroxyacetic acid, EINECS 276-453-5, (3-Chloro-4-hydroxyphenyl)(hydroxy)acetic acid, 3-Chloro-alpha,4-dihydroxybenzeneacetic acid
| Molecular Formula | C8H7ClO4 |
|---|---|
| Molecular Weight | 202.00 g/mol |
| LogP | 1.1636 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.00328 |
| Heavy Atoms | 13 |
| Complexity | 336.91595 |
Chemical Identifiers
| CAS Number | 72198-15-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(C(=O)O)O)Cl)O |
Product Overview
3-Chloro-4-hydroxymandelic acid (CAS 72198-15-3), with molecular formula C8H7ClO4 and molecular weight 202.00 g/mol. IUPAC: 2-(3-chloro-4-hydroxyphenyl)-2-hydroxyacetic acid.
Chemical Property Profile of 3-Chloro-4-hydroxymandelic acid
Property Insights of 3-Chloro-4-hydroxymandelic acid
The XLogP value of 1.1636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-hydroxymandelic acid. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-hydroxymandelic acid. Following Lipinski's Rule of Five, 3-Chloro-4-hydroxymandelic acid has 3 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 3-Chloro-4-hydroxymandelic acid?
The CAS number of 3-Chloro-4-hydroxymandelic acid is 72198-15-3.
What is the molecular formula of 3-Chloro-4-hydroxymandelic acid?
The molecular formula of 3-Chloro-4-hydroxymandelic acid is C8H7ClO4.
What is the molecular weight of 3-Chloro-4-hydroxymandelic acid?
The molecular weight of 3-Chloro-4-hydroxymandelic acid is 202.00 g/mol.
Where can I buy 3-Chloro-4-hydroxymandelic acid?
You can request a quote for 3-Chloro-4-hydroxymandelic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-hydroxymandelic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-hydroxymandelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.