![3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid structure](/static/products/7506/750607-75-1.webp)
3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid
TL;DR: 3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid (CAS 750607-75-1) is a chemical compound with molecular formula C9H7F3O5S and molecular weight 284.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2,2-trifluoroethoxysulfonyl)benzoic acid
Also Known As: 3-[(2,2,2-trifluoroethoxy)sulfonyl]benzoic acid, 3-(2,2,2-trifluoroethoxysulfonyl)benzoic Acid, 3-((2,2,2-Trifluoroethoxy)sulfonyl)benzoic acid, 3-[(2,2,2-trifluoroethoxy)sulfonyl]benzoicacid
| Molecular Formula | C9H7F3O5S |
|---|---|
| Molecular Weight | 284.00 g/mol |
| LogP | 1.6524 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.99664 |
| Heavy Atoms | 18 |
| Complexity | 549.5667 |
Chemical Identifiers
| CAS Number | 750607-75-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)OCC(F)(F)F)C(=O)O |
Product Overview
3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid (CAS 750607-75-1), with molecular formula C9H7F3O5S and molecular weight 284.00 g/mol. IUPAC: 3-(2,2,2-trifluoroethoxysulfonyl)benzoic acid.
Chemical Property Profile of 3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid
Property Insights of 3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid
The XLogP value of 1.6524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid has 1 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-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid?
The CAS number of 3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid is 750607-75-1.
What is the molecular formula of 3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid?
The molecular formula of 3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid is C9H7F3O5S.
What is the molecular weight of 3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid?
The molecular weight of 3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid is 284.00 g/mol.
Where can I buy 3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid?
You can request a quote for 3-[(2,2,2-Trifluoroethoxy)sulfonyl]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-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,2,2-Trifluoroethoxy)sulfonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.