1-Butyl trifluormethyl sulfone
TL;DR: 1-Butyl trifluormethyl sulfone (CAS 52208-94-3) is a chemical compound with molecular formula C5H9F3O2S and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(trifluoromethylsulfonyl)butane
Also Known As: 1-butyl trifluormethyl sulfone, Trifluoromethylbutyl sulfone, 1-(trifluoromethylsulfonyl)butane, 1-trifluoromethanesulfonylbutane, J3.567.333D
| Molecular Formula | C5H9F3O2S |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 1.7211 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.02754 |
| Heavy Atoms | 11 |
| Complexity | 204.25764 |
Chemical Identifiers
| CAS Number | 52208-94-3 |
|---|---|
| SMILES | CCCCS(=O)(=O)C(F)(F)F |
Product Overview
1-Butyl trifluormethyl sulfone (CAS 52208-94-3), with molecular formula C5H9F3O2S and molecular weight 190.03 g/mol. IUPAC: 1-(trifluoromethylsulfonyl)butane.
Chemical Property Profile of 1-Butyl trifluormethyl sulfone
Property Insights of 1-Butyl trifluormethyl sulfone
The XLogP value of 1.7211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl trifluormethyl sulfone. With a topological polar surface area (TPSA) of 34.14 Ų, 1-Butyl trifluormethyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl trifluormethyl sulfone has 0 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 1-Butyl trifluormethyl sulfone?
The CAS number of 1-Butyl trifluormethyl sulfone is 52208-94-3.
What is the molecular formula of 1-Butyl trifluormethyl sulfone?
The molecular formula of 1-Butyl trifluormethyl sulfone is C5H9F3O2S.
What is the molecular weight of 1-Butyl trifluormethyl sulfone?
The molecular weight of 1-Butyl trifluormethyl sulfone is 190.03 g/mol.
Where can I buy 1-Butyl trifluormethyl sulfone?
You can request a quote for 1-Butyl trifluormethyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl trifluormethyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl trifluormethyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.