3-Methylbut-2-en-2-yl trifluoromethanesulfonate
TL;DR: 3-Methylbut-2-en-2-yl trifluoromethanesulfonate (CAS 28143-80-8) is a chemical compound with molecular formula C6H9F3O3S and molecular weight 218.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-en-2-yl trifluoromethanesulfonate
Also Known As: 3-methylbut-2-en-2-yl trifluoromethanesulfonate, 3-Methyl-2-buten-2-yl-triflat, 1,2-dimethyl-1-propenyl trifluoromethanesulfonate, 1,2-dimethylprop-1-enyl trifluoromethanesulfonate, Trifluoromethanesulfonic acid 1,2-dimethyl-1-propenyl ester
| Molecular Formula | C6H9F3O3S |
|---|---|
| Molecular Weight | 218.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.02245 |
| Heavy Atoms | 13 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 28143-80-8 |
|---|---|
| SMILES | CC(=C(C)OS(=O)(=O)C(F)(F)F)C |
| InChIKey | ZOTJNLNOJYKPOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbut-2-en-2-yl trifluoromethanesulfonate (CAS 28143-80-8), with molecular formula C6H9F3O3S and molecular weight 218.02 g/mol. IUPAC: 3-methylbut-2-en-2-yl trifluoromethanesulfonate.
Chemical Property Profile of 3-Methylbut-2-en-2-yl trifluoromethanesulfonate
Property Insights of 3-Methylbut-2-en-2-yl trifluoromethanesulfonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbut-2-en-2-yl trifluoromethanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 3-Methylbut-2-en-2-yl trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbut-2-en-2-yl trifluoromethanesulfonate 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-Methylbut-2-en-2-yl trifluoromethanesulfonate?
The CAS number of 3-Methylbut-2-en-2-yl trifluoromethanesulfonate is 28143-80-8.
What is the molecular formula of 3-Methylbut-2-en-2-yl trifluoromethanesulfonate?
The molecular formula of 3-Methylbut-2-en-2-yl trifluoromethanesulfonate is C6H9F3O3S.
What is the molecular weight of 3-Methylbut-2-en-2-yl trifluoromethanesulfonate?
The molecular weight of 3-Methylbut-2-en-2-yl trifluoromethanesulfonate is 218.02 g/mol.
Where can I buy 3-Methylbut-2-en-2-yl trifluoromethanesulfonate?
You can request a quote for 3-Methylbut-2-en-2-yl trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbut-2-en-2-yl trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbut-2-en-2-yl trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.