2,2-二甲基丙基甲磺酸酯
TL;DR: 2,2-二甲基丙基甲磺酸酯 (CAS 16427-42-2) 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.
2,2-二甲基丙基甲磺酸酯
2,2-dimethylpropyl methanesulfonate
Also Known As: 2,2-Dimethylpropyl methanesulfonate, NEOPENTYL METHANESULFONATE, 2,2-DIMETHYLPROPYLMETHANESULPHONATE, 1-Propanol, 2,2-dimethyl-, 1-methanesulfonate, methanesulfonic acid neopentyl ester
| 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 | 180.0 |
Chemical Identifiers
| CAS Number | 16427-42-2 |
|---|---|
| SMILES | CC(C)(C)COS(=O)(=O)C |
| InChIKey | KNIBMLHGILXPOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二甲基丙基甲磺酸酯 (CAS 16427-42-2), with molecular formula C6H14O3S and molecular weight 166.07 g/mol. IUPAC: 2,2-dimethylpropyl methanesulfonate.
Chemical Property Profile of 2,2-二甲基丙基甲磺酸酯
Property Insights of 2,2-二甲基丙基甲磺酸酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二甲基丙基甲磺酸酯. With a topological polar surface area (TPSA) of 51.8 Ų, 2,2-二甲基丙基甲磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二甲基丙基甲磺酸酯 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 2,2-二甲基丙基甲磺酸酯?
The CAS number of 2,2-二甲基丙基甲磺酸酯 is 16427-42-2.
What is the molecular formula of 2,2-二甲基丙基甲磺酸酯?
The molecular formula of 2,2-二甲基丙基甲磺酸酯 is C6H14O3S.
What is the molecular weight of 2,2-二甲基丙基甲磺酸酯?
The molecular weight of 2,2-二甲基丙基甲磺酸酯 is 166.07 g/mol.
Where can I buy 2,2-二甲基丙基甲磺酸酯?
You can request a quote for 2,2-二甲基丙基甲磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二甲基丙基甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二甲基丙基甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.