3,5-Ditrifluoromethanesulfonylbenzoic acid
TL;DR: 3,5-Ditrifluoromethanesulfonylbenzoic acid (CAS 102117-41-9) is a chemical compound with molecular formula C9H4F6O6S2 and molecular weight 385.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(trifluoromethylsulfonyl)benzoic acid
Also Known As: starbld0003380, 3,5-bis(trifluoromethylsulfonyl)benzoic Acid, 3,5-DITRIFLUOROMETHANESULFONYLBENZOIC ACID, 3,5-ditrifluoromethanesulfonylbenzoicacid, 3,5-Bis((trifluoromethyl)sulfonyl)benzoic acid
| Molecular Formula | C9H4F6O6S2 |
|---|---|
| Molecular Weight | 385.94 g/mol |
| LogP | 1.9718 |
| Topological Polar Surface Area | 105.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.93536 |
| Heavy Atoms | 23 |
| Complexity | 787.24805 |
Chemical Identifiers
| CAS Number | 102117-41-9 |
|---|---|
| SMILES | C1=C(C=C(C=C1S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(=O)O |
Product Overview
3,5-Ditrifluoromethanesulfonylbenzoic acid (CAS 102117-41-9), with molecular formula C9H4F6O6S2 and molecular weight 385.94 g/mol. IUPAC: 3,5-bis(trifluoromethylsulfonyl)benzoic acid.
Chemical Property Profile of 3,5-Ditrifluoromethanesulfonylbenzoic acid
Property Insights of 3,5-Ditrifluoromethanesulfonylbenzoic acid
The XLogP value of 1.9718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Ditrifluoromethanesulfonylbenzoic acid. The TPSA of 105.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Ditrifluoromethanesulfonylbenzoic acid. Following Lipinski's Rule of Five, 3,5-Ditrifluoromethanesulfonylbenzoic acid has 1 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 3,5-Ditrifluoromethanesulfonylbenzoic acid?
The CAS number of 3,5-Ditrifluoromethanesulfonylbenzoic acid is 102117-41-9.
What is the molecular formula of 3,5-Ditrifluoromethanesulfonylbenzoic acid?
The molecular formula of 3,5-Ditrifluoromethanesulfonylbenzoic acid is C9H4F6O6S2.
What is the molecular weight of 3,5-Ditrifluoromethanesulfonylbenzoic acid?
The molecular weight of 3,5-Ditrifluoromethanesulfonylbenzoic acid is 385.94 g/mol.
Where can I buy 3,5-Ditrifluoromethanesulfonylbenzoic acid?
You can request a quote for 3,5-Ditrifluoromethanesulfonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Ditrifluoromethanesulfonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Ditrifluoromethanesulfonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.