4-氟扁桃酸
TL;DR: 4-氟扁桃酸 (CAS 395-33-5) is a chemical compound with molecular formula C8H7FO3 and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氟扁桃酸
2-(4-fluorophenyl)-2-hydroxyacetic acid
Also Known As: 4-Fluoromandelic acid, 2-(4-fluorophenyl)-2-hydroxyacetic acid, 4-Fluoromandelicacid, P-fluoro mandelic acid, p-fluoromandelic acid
| Molecular Formula | C8H7FO3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.03792 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 395-33-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(=O)O)O)F |
| InChIKey | RWCMOQXHIDWDDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氟扁桃酸 (CAS 395-33-5), with molecular formula C8H7FO3 and molecular weight 170.04 g/mol. IUPAC: 2-(4-fluorophenyl)-2-hydroxyacetic acid.
Chemical Property Profile of 4-氟扁桃酸
Property Insights of 4-氟扁桃酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氟扁桃酸. With a topological polar surface area (TPSA) of 57.5 Ų, 4-氟扁桃酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氟扁桃酸 has 2 hydrogen bond donor(s) and 4 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-氟扁桃酸?
The CAS number of 4-氟扁桃酸 is 395-33-5.
What is the molecular formula of 4-氟扁桃酸?
The molecular formula of 4-氟扁桃酸 is C8H7FO3.
What is the molecular weight of 4-氟扁桃酸?
The molecular weight of 4-氟扁桃酸 is 170.04 g/mol.
Where can I buy 4-氟扁桃酸?
You can request a quote for 4-氟扁桃酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氟扁桃酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氟扁桃酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.