![4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane structure](/static/products/866/866157-31-5.png)
4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane
TL;DR: 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane (CAS 866157-31-5) is a chemical compound with molecular formula C12H14F3NO3S and molecular weight 309.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-oxazolidine
Also Known As: 4,4-dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane, 4,4-dimethyl-3-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-oxazolidine, 4,4-dimethyl-3-[2-(trifluoromethyl)benzenesulfonyl]-1,3-oxazolidine
| Molecular Formula | C12H14F3NO3S |
|---|---|
| Molecular Weight | 309.06 g/mol |
| LogP | 2.4624 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.06464 |
| Heavy Atoms | 20 |
| Complexity | 610.6187 |
Chemical Identifiers
| CAS Number | 866157-31-5 |
|---|---|
| SMILES | CC1(COCN1S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C |
Product Overview
4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane (CAS 866157-31-5), with molecular formula C12H14F3NO3S and molecular weight 309.06 g/mol. IUPAC: 4,4-dimethyl-3-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-oxazolidine.
Chemical Property Profile of 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane
Property Insights of 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane
The XLogP value of 2.4624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane. With a topological polar surface area (TPSA) of 46.61 Ų, 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane has 0 hydrogen bond donor(s) and 3 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 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane?
The CAS number of 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane is 866157-31-5.
What is the molecular formula of 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane?
The molecular formula of 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane is C12H14F3NO3S.
What is the molecular weight of 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane?
The molecular weight of 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane is 309.06 g/mol.
Where can I buy 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane?
You can request a quote for 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-3-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,3-oxazolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.