1-Methylpropyl methanesulfonate
TL;DR: 1-Methylpropyl methanesulfonate (CAS 119943-51-0) is a chemical compound with molecular formula C5H12O3S and molecular weight 152.05072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butan-2-yl methanesulfonate
Also Known As: sec-Butyl methanesulfonate, 2-Butyl methanesulfonate, butan-2-yl methanesulfonate, sec-Butyl mesylate, 2-BUTYLMETHANESULPHONATE
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12O3S |
| Molecular Weight | 152.05072 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.05072 Da |
| Heavy Atoms | 9 |
| Complexity | 154.0 |
| SMILES | CCC(C)OS(=O)(=O)C |
| InChIKey | BQWQGEBNCNNFCI-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methylpropyl methanesulfonate
Property Insights of 1-Methylpropyl methanesulfonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpropyl methanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 1-Methylpropyl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpropyl 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 1-Methylpropyl methanesulfonate?
The CAS number of 1-Methylpropyl methanesulfonate is 119943-51-0.
What is the molecular formula of 1-Methylpropyl methanesulfonate?
The molecular formula of 1-Methylpropyl methanesulfonate is C5H12O3S.
What is the molecular weight of 1-Methylpropyl methanesulfonate?
The molecular weight of 1-Methylpropyl methanesulfonate is 152.05072 g/mol.
Where can I buy 1-Methylpropyl methanesulfonate?
You can request a quote for 1-Methylpropyl methanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methylpropyl methanesulfonate?
Yes, CoreyChem provides custom synthesis services for 1-Methylpropyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.