3,5-Difluoromandelic acid
TL;DR: 3,5-Difluoromandelic acid (CAS 794566-88-4) is a chemical compound with molecular formula C8H6F2O3 and molecular weight 188.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-difluorophenyl)-2-hydroxyacetic acid
Also Known As: 3,5-Difluoromandelic acid, 2-(3,5-difluorophenyl)-2-hydroxyacetic acid, 3,5-Difluoromandelicacid, (S)-3,5-Difluoromandelic acid, 3,5-difluoro-mandelic acid
| Molecular Formula | C8H6F2O3 |
|---|---|
| Molecular Weight | 188.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.0285 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 794566-88-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1F)F)C(C(=O)O)O |
| InChIKey | PHMLPPFFMSRWBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Difluoromandelic acid (CAS 794566-88-4), with molecular formula C8H6F2O3 and molecular weight 188.03 g/mol. IUPAC: 2-(3,5-difluorophenyl)-2-hydroxyacetic acid.
Chemical Property Profile of 3,5-Difluoromandelic acid
Property Insights of 3,5-Difluoromandelic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Difluoromandelic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3,5-Difluoromandelic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Difluoromandelic acid has 2 hydrogen bond donor(s) and 5 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 3,5-Difluoromandelic acid?
The CAS number of 3,5-Difluoromandelic acid is 794566-88-4.
What is the molecular formula of 3,5-Difluoromandelic acid?
The molecular formula of 3,5-Difluoromandelic acid is C8H6F2O3.
What is the molecular weight of 3,5-Difluoromandelic acid?
The molecular weight of 3,5-Difluoromandelic acid is 188.03 g/mol.
Where can I buy 3,5-Difluoromandelic acid?
You can request a quote for 3,5-Difluoromandelic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Difluoromandelic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Difluoromandelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.