Undecyl methanesulfonate
TL;DR: Undecyl methanesulfonate (CAS 159438-86-5) is a chemical compound with molecular formula C12H26O3S and molecular weight 250.16026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
undecyl methanesulfonate
Also Known As: undecyl methanesulfonate, 1-Undecanol, methanesulfonate, 1-methylsulfonyloxyundecane, Methanesulfonic acid undecyl ester, J1.259.216G
Technical Specifications
| Molecular Formula | C12H26O3S |
| Molecular Weight | 250.16026 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 250.16026 Da |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
| SMILES | CCCCCCCCCCCOS(=O)(=O)C |
| InChIKey | ITZQFSJTICWLHR-UHFFFAOYSA-N |
Chemical Property Profile of Undecyl methanesulfonate
Property Insights of Undecyl methanesulfonate
The XLogP value of 4.7 indicates that Undecyl methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Undecyl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undecyl 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
What is the CAS number of Undecyl methanesulfonate?
The CAS number of Undecyl methanesulfonate is 159438-86-5.
What is the molecular formula of Undecyl methanesulfonate?
The molecular formula of Undecyl methanesulfonate is C12H26O3S.
What is the molecular weight of Undecyl methanesulfonate?
The molecular weight of Undecyl methanesulfonate is 250.16026 g/mol.
Where can I buy Undecyl methanesulfonate?
You can request a quote for Undecyl methanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Undecyl methanesulfonate?
Yes, CoreyChem provides custom synthesis services for Undecyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.