4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid
TL;DR: 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid (CAS 690645-93-3) is a chemical compound with molecular formula C15H12F3NO4S and molecular weight 359.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoic acid
Also Known As: 4-(((3-(trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid, 4-[3-(TRIFLROMETHL)PHENLSUL 1G., 4-[3-(TRIFLROMETHL)PHENL 250MG., 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoic Acid, VU0618379-1
| Molecular Formula | C15H12F3NO4S |
|---|---|
| Molecular Weight | 359.04 g/mol |
| LogP | 2.8821 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0439 |
| Heavy Atoms | 24 |
| Complexity | 845.76807 |
Chemical Identifiers
| CAS Number | 690645-93-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O)C(F)(F)F |
Product Overview
4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid (CAS 690645-93-3), with molecular formula C15H12F3NO4S and molecular weight 359.04 g/mol. IUPAC: 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoic acid.
Chemical Property Profile of 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid
Property Insights of 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid
The XLogP value of 2.8821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid. Following Lipinski's Rule of Five, 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)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-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid?
The CAS number of 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid is 690645-93-3.
What is the molecular formula of 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid?
The molecular formula of 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid is C15H12F3NO4S.
What is the molecular weight of 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid?
The molecular weight of 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid is 359.04 g/mol.
Where can I buy 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid?
You can request a quote for 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)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-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((3-(Trifluoromethyl)phenyl)sulfonamido)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.