3-(三氟甲基)苯基甲磺酸酯
TL;DR: 3-(三氟甲基)苯基甲磺酸酯 (CAS 52904-17-3) is a chemical compound with molecular formula C8H7F3O3S and molecular weight 240.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(三氟甲基)苯基甲磺酸酯
[3-(trifluoromethyl)phenyl] methanesulfonate
Also Known As: 3-(trifluoromethyl)phenyl methanesulfonate, [3-(trifluoromethyl)phenyl] methanesulfonate, 3-Trifluormethylphenyl-methansulfonat, Phenol,3-(trifluoromethyl)-, 1-methanesulfonate, J1.135.799G
| Molecular Formula | C8H7F3O3S |
|---|---|
| Molecular Weight | 240.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.0068 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 52904-17-3 |
|---|---|
| SMILES | CS(=O)(=O)OC1=CC=CC(=C1)C(F)(F)F |
| InChIKey | DISXDOUPJHUOMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(三氟甲基)苯基甲磺酸酯 (CAS 52904-17-3), with molecular formula C8H7F3O3S and molecular weight 240.01 g/mol. IUPAC: [3-(trifluoromethyl)phenyl] methanesulfonate.
Chemical Property Profile of 3-(三氟甲基)苯基甲磺酸酯
Property Insights of 3-(三氟甲基)苯基甲磺酸酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(三氟甲基)苯基甲磺酸酯. With a topological polar surface area (TPSA) of 51.8 Ų, 3-(三氟甲基)苯基甲磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(三氟甲基)苯基甲磺酸酯 has 0 hydrogen bond donor(s) and 6 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-(三氟甲基)苯基甲磺酸酯?
The CAS number of 3-(三氟甲基)苯基甲磺酸酯 is 52904-17-3.
What is the molecular formula of 3-(三氟甲基)苯基甲磺酸酯?
The molecular formula of 3-(三氟甲基)苯基甲磺酸酯 is C8H7F3O3S.
What is the molecular weight of 3-(三氟甲基)苯基甲磺酸酯?
The molecular weight of 3-(三氟甲基)苯基甲磺酸酯 is 240.01 g/mol.
Where can I buy 3-(三氟甲基)苯基甲磺酸酯?
You can request a quote for 3-(三氟甲基)苯基甲磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(三氟甲基)苯基甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-(三氟甲基)苯基甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.