Isobutyl Methanesulfonate
TL;DR: Isobutyl Methanesulfonate (CAS 16156-53-9) is a chemical compound with molecular formula C5H12O3S and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl methanesulfonate
Also Known As: Isobutyl methanesulfonate, 2-Methylpropyl methanesulfonate, Methanesulfonic acid, 2-methylpropyl ester, Isobutylmethanesulfonate, Isopropyl ethanesulfonate
| Molecular Formula | C5H12O3S |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.05072 |
| Heavy Atoms | 9 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 16156-53-9 |
|---|---|
| SMILES | CC(C)COS(=O)(=O)C |
| InChIKey | PZMKMCFRTKGVOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl Methanesulfonate (CAS 16156-53-9), with molecular formula C5H12O3S and molecular weight 152.05 g/mol. IUPAC: 2-methylpropyl methanesulfonate.
Chemical Property Profile of Isobutyl Methanesulfonate
Property Insights of Isobutyl Methanesulfonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl Methanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Isobutyl Methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl Methanesulfonate 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 Isobutyl Methanesulfonate?
The CAS number of Isobutyl Methanesulfonate is 16156-53-9.
What is the molecular formula of Isobutyl Methanesulfonate?
The molecular formula of Isobutyl Methanesulfonate is C5H12O3S.
What is the molecular weight of Isobutyl Methanesulfonate?
The molecular weight of Isobutyl Methanesulfonate is 152.05 g/mol.
Where can I buy Isobutyl Methanesulfonate?
You can request a quote for Isobutyl Methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl Methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl Methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.