![4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid structure](/static/products/6906/690646-12-9.webp)
4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid
TL;DR: 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid (CAS 690646-12-9) is a chemical compound with molecular formula C14H11F2NO4S and molecular weight 327.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2,6-difluorophenyl)sulfonylamino]methyl]benzoic acid
Also Known As: 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]benzoic acid, Benzoicacid, 4-[[[(2,6-difluorophenyl)sulfonyl]amino]methyl]-, F3394-1137, 4-({[(2,6-difluorophenyl)sulfonyl]amino}methyl)benzoic acid, AQ-750/42501850
| Molecular Formula | C14H11F2NO4S |
|---|---|
| Molecular Weight | 327.04 g/mol |
| LogP | 2.1415 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.0377 |
| Heavy Atoms | 22 |
| Complexity | 783.8426 |
Chemical Identifiers
| CAS Number | 690646-12-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O)F |
Product Overview
4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid (CAS 690646-12-9), with molecular formula C14H11F2NO4S and molecular weight 327.04 g/mol. IUPAC: 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]benzoic acid.
Chemical Property Profile of 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid
Property Insights of 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid
The XLogP value of 2.1415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic 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
Frequently Asked Questions
What is the CAS number of 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid?
The CAS number of 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid is 690646-12-9.
What is the molecular formula of 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid?
The molecular formula of 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid is C14H11F2NO4S.
What is the molecular weight of 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid?
The molecular weight of 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid is 327.04 g/mol.
Where can I buy 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid?
You can request a quote for 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(2,6-Difluorophenyl)sulfonylamino]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.