Methyl decanesulfonate
TL;DR: Methyl decanesulfonate (CAS 67779-44-6) is a chemical compound with molecular formula C11H24O3S and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl decane-1-sulfonate
Also Known As: Methyl decanesulfonate, methyl decane-1-sulfonate, 1-Decyl mesylate, decyl methanesulfonate, methyl decanesulphonate
| Molecular Formula | C11H24O3S |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 236.14462 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 67779-44-6 |
|---|---|
| SMILES | CCCCCCCCCCS(=O)(=O)OC |
| InChIKey | NSLRWZAGVYHOTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl decanesulfonate (CAS 67779-44-6), with molecular formula C11H24O3S and molecular weight 236.14 g/mol. IUPAC: methyl decane-1-sulfonate.
Chemical Property Profile of Methyl decanesulfonate
Property Insights of Methyl decanesulfonate
The XLogP value of 4.1 indicates that Methyl decanesulfonate 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 decanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl decanesulfonate 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 Methyl decanesulfonate?
The CAS number of Methyl decanesulfonate is 67779-44-6.
What is the molecular formula of Methyl decanesulfonate?
The molecular formula of Methyl decanesulfonate is C11H24O3S.
What is the molecular weight of Methyl decanesulfonate?
The molecular weight of Methyl decanesulfonate is 236.14 g/mol.
Where can I buy Methyl decanesulfonate?
You can request a quote for Methyl decanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl decanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl decanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.