4-Chloromandelic acid
TL;DR: 4-Chloromandelic acid (CAS 492-86-4) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.00838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7ClO3 |
| Molecular Weight | 186.00838 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00838 Da |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
| SMILES | C1=CC(=CC=C1C(C(=O)O)O)Cl |
| InChIKey | BWSFWXSSALIZAU-UHFFFAOYSA-N |
Product Description
Applications: 4-Chloromandelic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Chloromandelic acid is a pharmaceutical intermediate identified by CAS number 492-86-4 and the molecular formula C8H7ClO3 and a molecular weight of 186.01 g/mol. Synonyms include 4-CHLOROMANDELIC ACID and 2-(4-chlorophenyl)-2-hydroxyacetic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 186.00838 g/mol.
What are the applications of 4-Chloromandelic acid?
4-Chloromandelic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Chloromandelic acid?
You can request a quote for 4-Chloromandelic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloromandelic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chloromandelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.