1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate
TL;DR: 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate (CAS 3672-41-1) is a chemical compound with molecular formula C11H7BrF6O3S and molecular weight 411.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl] 4-bromobenzenesulfonate
Also Known As: KST-1B3637, 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate, [1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl] 4-bromobe, [1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl] 4-bromobenzenesulfonate, 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzene-1-sulfonate
| Molecular Formula | C11H7BrF6O3S |
|---|---|
| Molecular Weight | 411.92 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.92035 |
| Heavy Atoms | 22 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 3672-41-1 |
|---|---|
| SMILES | C=CC(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)C1=CC=C(C=C1)Br |
| InChIKey | LNXPWGZCUJGAQX-UHFFFAOYSA-N |
Product Overview
1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate (CAS 3672-41-1), with molecular formula C11H7BrF6O3S and molecular weight 411.92 g/mol. IUPAC: [1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl] 4-bromobenzenesulfonate.
Chemical Property Profile of 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate
Property Insights of 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate
The XLogP value of 4.6 indicates that 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate has 0 hydrogen bond donor(s) and 9 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 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate?
The CAS number of 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate is 3672-41-1.
What is the molecular formula of 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate?
The molecular formula of 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate is C11H7BrF6O3S.
What is the molecular weight of 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate?
The molecular weight of 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate is 411.92 g/mol.
Where can I buy 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate?
You can request a quote for 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-2-(trifluoromethyl)but-3-en-2-yl 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.