2-Methylbutyl methanesulfonate
TL;DR: 2-Methylbutyl methanesulfonate (CAS 113806-17-0) is a chemical compound with molecular formula C6H14O3S and molecular weight 166.06636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbutyl methanesulfonate
Also Known As: 2-methylbutyl methanesulfonate, (S)-(+)-2-Methylbutyl methanesulfonate, 2-methyl-1-methylsulfonyloxy-butane, [(2S)-2-methylbutyl] methanesulfonate
Technical Specifications
| Molecular Formula | C6H14O3S |
| Molecular Weight | 166.06636 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.06636 Da |
| Heavy Atoms | 10 |
| Complexity | 166.0 |
| SMILES | CCC(C)COS(=O)(=O)C |
| InChIKey | BANBAERELZGEAJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methylbutyl methanesulfonate
Property Insights of 2-Methylbutyl methanesulfonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbutyl methanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Methylbutyl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutyl 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 2-Methylbutyl methanesulfonate?
The CAS number of 2-Methylbutyl methanesulfonate is 113806-17-0.
What is the molecular formula of 2-Methylbutyl methanesulfonate?
The molecular formula of 2-Methylbutyl methanesulfonate is C6H14O3S.
What is the molecular weight of 2-Methylbutyl methanesulfonate?
The molecular weight of 2-Methylbutyl methanesulfonate is 166.06636 g/mol.
Where can I buy 2-Methylbutyl methanesulfonate?
You can request a quote for 2-Methylbutyl methanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylbutyl methanesulfonate?
Yes, CoreyChem provides custom synthesis services for 2-Methylbutyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.