2-Methyl-1-propenyl trifluoromethanesulfonate
TL;DR: 2-Methyl-1-propenyl trifluoromethanesulfonate (CAS 53282-30-7) is a chemical compound with molecular formula C5H7F3O3S and molecular weight 204.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylprop-1-enyl trifluoromethanesulfonate
Also Known As: 2-Methyl-1-propenyl trifluoromethanesulfonate, 2-methyl-1-propenyl triflate, 2-methylprop-1-enyl trifluoromethanesulfonate, 2-methylprop-1-en-1-yl trifluoromethanesulfonate, Trifluoromethanesulfonic acid 2-methyl-1-propenyl ester
| Molecular Formula | C5H7F3O3S |
|---|---|
| Molecular Weight | 204.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.0068 |
| Heavy Atoms | 12 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 53282-30-7 |
|---|---|
| SMILES | CC(=COS(=O)(=O)C(F)(F)F)C |
| InChIKey | ZBMXEMUYHOPIKB-UHFFFAOYSA-N |
Product Overview
2-Methyl-1-propenyl trifluoromethanesulfonate (CAS 53282-30-7), with molecular formula C5H7F3O3S and molecular weight 204.01 g/mol. IUPAC: 2-methylprop-1-enyl trifluoromethanesulfonate.
Chemical Property Profile of 2-Methyl-1-propenyl trifluoromethanesulfonate
Property Insights of 2-Methyl-1-propenyl trifluoromethanesulfonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1-propenyl trifluoromethanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Methyl-1-propenyl trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-propenyl 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 2-Methyl-1-propenyl trifluoromethanesulfonate?
The CAS number of 2-Methyl-1-propenyl trifluoromethanesulfonate is 53282-30-7.
What is the molecular formula of 2-Methyl-1-propenyl trifluoromethanesulfonate?
The molecular formula of 2-Methyl-1-propenyl trifluoromethanesulfonate is C5H7F3O3S.
What is the molecular weight of 2-Methyl-1-propenyl trifluoromethanesulfonate?
The molecular weight of 2-Methyl-1-propenyl trifluoromethanesulfonate is 204.01 g/mol.
Where can I buy 2-Methyl-1-propenyl trifluoromethanesulfonate?
You can request a quote for 2-Methyl-1-propenyl trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-propenyl trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-propenyl trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.