4-三氟甲基苯磺酸
TL;DR: 4-三氟甲基苯磺酸 (CAS 109787-11-3) is a chemical compound with molecular formula C7H5F3O3S and molecular weight 225.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-三氟甲基苯磺酸
4-(trifluoromethyl)benzenesulfonic acid
Also Known As: 4-(trifluoromethyl)benzenesulfonic Acid, starbld0016182, 4-(trifluoromethyl)benzene-1-sulfonic acid, 4-trifluoromethylbenzenesulfonic acid, 4-(trifluoromethyl)benzene-1-sulfonicacid
| Molecular Formula | C7H5F3O3S |
|---|---|
| Molecular Weight | 225.99 g/mol |
| LogP | 1.9521 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.99115 |
| Heavy Atoms | 14 |
| Complexity | 418.4884 |
Chemical Identifiers
| CAS Number | 109787-11-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)O |
Product Overview
4-三氟甲基苯磺酸 (CAS 109787-11-3), with molecular formula C7H5F3O3S and molecular weight 225.99 g/mol. IUPAC: 4-(trifluoromethyl)benzenesulfonic acid.
Chemical Property Profile of 4-三氟甲基苯磺酸
Property Insights of 4-三氟甲基苯磺酸
The XLogP value of 1.9521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-三氟甲基苯磺酸. With a topological polar surface area (TPSA) of 54.37 Ų, 4-三氟甲基苯磺酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-三氟甲基苯磺酸 has 1 hydrogen bond donor(s) and 2 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 4-三氟甲基苯磺酸?
The CAS number of 4-三氟甲基苯磺酸 is 109787-11-3.
What is the molecular formula of 4-三氟甲基苯磺酸?
The molecular formula of 4-三氟甲基苯磺酸 is C7H5F3O3S.
What is the molecular weight of 4-三氟甲基苯磺酸?
The molecular weight of 4-三氟甲基苯磺酸 is 225.99 g/mol.
Where can I buy 4-三氟甲基苯磺酸?
You can request a quote for 4-三氟甲基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-三氟甲基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 4-三氟甲基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.