Methyl octanesulfonate
TL;DR: Methyl octanesulfonate (CAS 110785-19-8) is a chemical compound with molecular formula C9H20O3S and molecular weight 208.11331 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl octane-1-sulfonate
Also Known As: Methyl octanesulfonate, methyl octane-1-sulfonate, 2-Octylmethansulfonat, Octane sulfonic acid methyl ester, 1-Octanesulfonic acid, methyl ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H20O3S |
| Molecular Weight | 208.11331 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 208.11331 Da |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
| SMILES | CCCCCCCCS(=O)(=O)OC |
| InChIKey | LNPONCGOKNIEJA-UHFFFAOYSA-N |
Chemical Property Profile of Methyl octanesulfonate
Property Insights of Methyl octanesulfonate
The XLogP value of 3.1 indicates that Methyl octanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Methyl octanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl octanesulfonate 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
What is the CAS number of Methyl octanesulfonate?
The CAS number of Methyl octanesulfonate is 110785-19-8.
What is the molecular formula of Methyl octanesulfonate?
The molecular formula of Methyl octanesulfonate is C9H20O3S.
What is the molecular weight of Methyl octanesulfonate?
The molecular weight of Methyl octanesulfonate is 208.11331 g/mol.
Where can I buy Methyl octanesulfonate?
You can request a quote for Methyl octanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl octanesulfonate?
Yes, CoreyChem provides custom synthesis services for Methyl octanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.