Methanesulfonic acid, trifluoro-, 2-methylpropyl ester
TL;DR: Methanesulfonic acid, trifluoro-, 2-methylpropyl ester (CAS 60306-25-4) is a chemical compound with molecular formula C5H9F3O3S and molecular weight 206.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl trifluoromethanesulfonate
Also Known As: isobutyl triflate, iBuOTf, isobutyl trifluoromethanesulfonate, 2-methylpropyl trifluoromethanesulfonate, methanesulfonic acid, trifluoro-, 2-methylpropyl ester
| Molecular Formula | C5H9F3O3S |
|---|---|
| Molecular Weight | 206.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.02245 |
| Heavy Atoms | 12 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 60306-25-4 |
|---|---|
| SMILES | CC(C)COS(=O)(=O)C(F)(F)F |
| InChIKey | PNMMBTNXJSMDJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methanesulfonic acid, trifluoro-, 2-methylpropyl ester (CAS 60306-25-4), with molecular formula C5H9F3O3S and molecular weight 206.02 g/mol. IUPAC: 2-methylpropyl trifluoromethanesulfonate.
Chemical Property Profile of Methanesulfonic acid, trifluoro-, 2-methylpropyl ester
Property Insights of Methanesulfonic acid, trifluoro-, 2-methylpropyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanesulfonic acid, trifluoro-, 2-methylpropyl ester. With a topological polar surface area (TPSA) of 51.8 Ų, Methanesulfonic acid, trifluoro-, 2-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanesulfonic acid, trifluoro-, 2-methylpropyl ester 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 Methanesulfonic acid, trifluoro-, 2-methylpropyl ester?
The CAS number of Methanesulfonic acid, trifluoro-, 2-methylpropyl ester is 60306-25-4.
What is the molecular formula of Methanesulfonic acid, trifluoro-, 2-methylpropyl ester?
The molecular formula of Methanesulfonic acid, trifluoro-, 2-methylpropyl ester is C5H9F3O3S.
What is the molecular weight of Methanesulfonic acid, trifluoro-, 2-methylpropyl ester?
The molecular weight of Methanesulfonic acid, trifluoro-, 2-methylpropyl ester is 206.02 g/mol.
Where can I buy Methanesulfonic acid, trifluoro-, 2-methylpropyl ester?
You can request a quote for Methanesulfonic acid, trifluoro-, 2-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanesulfonic acid, trifluoro-, 2-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Methanesulfonic acid, trifluoro-, 2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.