3-氟-4-羟基苯甲酸
TL;DR: 3-氟-4-羟基苯甲酸 (CAS 3967-44-0) is a chemical compound with molecular formula C7H5FO3 and molecular weight 156.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氟-4-羟基苯甲酸
3-fluoro-4-hydroxybenzoic acid
Also Known As: 3-FLUORO-4-HYDROXYBENZOIC ACID, 3pcf, 3-Fluoro-4-hydroxybenzoate, 4-Carboxy-2-fluorophenol, Dotinurad Impurity 39
| Molecular Formula | C7H5FO3 |
|---|---|
| Molecular Weight | 156.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.02228 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 3967-44-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)F)O |
| InChIKey | IUSDEKNMCOUBEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氟-4-羟基苯甲酸 (CAS 3967-44-0), with molecular formula C7H5FO3 and molecular weight 156.02 g/mol. IUPAC: 3-fluoro-4-hydroxybenzoic acid.
Chemical Property Profile of 3-氟-4-羟基苯甲酸
Property Insights of 3-氟-4-羟基苯甲酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氟-4-羟基苯甲酸. With a topological polar surface area (TPSA) of 57.5 Ų, 3-氟-4-羟基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氟-4-羟基苯甲酸 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 3-氟-4-羟基苯甲酸?
The CAS number of 3-氟-4-羟基苯甲酸 is 3967-44-0.
What is the molecular formula of 3-氟-4-羟基苯甲酸?
The molecular formula of 3-氟-4-羟基苯甲酸 is C7H5FO3.
What is the molecular weight of 3-氟-4-羟基苯甲酸?
The molecular weight of 3-氟-4-羟基苯甲酸 is 156.02 g/mol.
Where can I buy 3-氟-4-羟基苯甲酸?
You can request a quote for 3-氟-4-羟基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氟-4-羟基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氟-4-羟基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.