![3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid structure](/static/products/5191/519152-26-2.webp)
3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
TL;DR: 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid (CAS 519152-26-2) is a chemical compound with molecular formula C21H16F3NO4S and molecular weight 435.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
Also Known As: 3-{benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid, 3-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic Acid, 3-[Benzyl-(3-trifluoromethyl-phenyl)-sulfamoyl]-benzoic acid, 3-{benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoicacid, 3-(BENZYL[3-(TRIFLUOROMETHYL)PHENYL]SULFAMOYL)BENZOIC ACID
| Molecular Formula | C21H16F3NO4S |
|---|---|
| Molecular Weight | 435.08 g/mol |
| LogP | 4.7991 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.07523 |
| Heavy Atoms | 30 |
| Complexity | 1162.1239 |
Chemical Identifiers
| CAS Number | 519152-26-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid (CAS 519152-26-2), with molecular formula C21H16F3NO4S and molecular weight 435.08 g/mol. IUPAC: 3-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid.
Chemical Property Profile of 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
Property Insights of 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
The XLogP value of 4.7991 indicates that 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid. Following Lipinski's Rule of Five, 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid has 1 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 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid?
The CAS number of 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid is 519152-26-2.
What is the molecular formula of 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid?
The molecular formula of 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid is C21H16F3NO4S.
What is the molecular weight of 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid?
The molecular weight of 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid is 435.08 g/mol.
Where can I buy 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid?
You can request a quote for 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.