3-甲基丁-2-基甲磺酸酯
TL;DR: 3-甲基丁-2-基甲磺酸酯 (CAS 26943-74-8) is a chemical compound with molecular formula C6H14O3S and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基丁-2-基甲磺酸酯
3-methylbutan-2-yl methanesulfonate
Also Known As: 3-methylbutan-2-yl methanesulfonate, 3-methyl-2-butylmethanesulphonate, starbld0032943, 3-Methyl-2-butyl methanesulfonate, 3-Methyl-2-butylmeththanesulfonate
| Molecular Formula | C6H14O3S |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06636 |
| Heavy Atoms | 10 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 26943-74-8 |
|---|---|
| SMILES | CC(C)C(C)OS(=O)(=O)C |
| InChIKey | HREPGPGLHZOQGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基丁-2-基甲磺酸酯 (CAS 26943-74-8), with molecular formula C6H14O3S and molecular weight 166.07 g/mol. IUPAC: 3-methylbutan-2-yl methanesulfonate.
Chemical Property Profile of 3-甲基丁-2-基甲磺酸酯
Property Insights of 3-甲基丁-2-基甲磺酸酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基丁-2-基甲磺酸酯. With a topological polar surface area (TPSA) of 51.8 Ų, 3-甲基丁-2-基甲磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基丁-2-基甲磺酸酯 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 3-甲基丁-2-基甲磺酸酯?
The CAS number of 3-甲基丁-2-基甲磺酸酯 is 26943-74-8.
What is the molecular formula of 3-甲基丁-2-基甲磺酸酯?
The molecular formula of 3-甲基丁-2-基甲磺酸酯 is C6H14O3S.
What is the molecular weight of 3-甲基丁-2-基甲磺酸酯?
The molecular weight of 3-甲基丁-2-基甲磺酸酯 is 166.07 g/mol.
Where can I buy 3-甲基丁-2-基甲磺酸酯?
You can request a quote for 3-甲基丁-2-基甲磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基丁-2-基甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基丁-2-基甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.