5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid
TL;DR: 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid (CAS 84794-98-9) is a chemical compound with molecular formula C14H11FO6S and molecular weight 326.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulfonic acid
Also Known As: EINECS 284-164-0, 5-(4-fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulfonic acid, 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid, 5- -4-hydroxy-2-methoxybenzenesulphonicacid, 5-(4-fluorobenzoyl)-4-hydroxy-2-methoxybenzene-1-sulfonic acid
| Molecular Formula | C14H11FO6S |
|---|---|
| Molecular Weight | 326.03 g/mol |
| LogP | 2.0176 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.02603 |
| Heavy Atoms | 22 |
| Complexity | 827.15674 |
Chemical Identifiers
| CAS Number | 84794-98-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)O)C(=O)C2=CC=C(C=C2)F)S(=O)(=O)O |
Product Overview
5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid (CAS 84794-98-9), with molecular formula C14H11FO6S and molecular weight 326.03 g/mol. IUPAC: 5-(4-fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulfonic acid.
Chemical Property Profile of 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid
Property Insights of 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid
The XLogP value of 2.0176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid. Following Lipinski's Rule of Five, 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic 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 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid?
The CAS number of 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid is 84794-98-9.
What is the molecular formula of 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid?
The molecular formula of 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid is C14H11FO6S.
What is the molecular weight of 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid?
The molecular weight of 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid is 326.03 g/mol.
Where can I buy 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid?
You can request a quote for 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.