2,2-二乙基-1,3-丙二醇二甲磺酸酯
TL;DR: 2,2-二乙基-1,3-丙二醇二甲磺酸酯 (CAS 56862-92-1) is a chemical compound with molecular formula C9H20O6S2 and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二乙基-1,3-丙二醇二甲磺酸酯
[2-ethyl-2-(methylsulfonyloxymethyl)butyl] methanesulfonate
Also Known As: NIOSH/TY5348000, 1,3-Propanediol, 2,2-diethyl-, dimethanesulfonate, 2,2-Diethyl-1,3-propanediol-1,3-dimethanesulfonate, KST-1B5709, 3,3-bis(methylsulfonyloxymethyl)pentane
| Molecular Formula | C9H20O6S2 |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 288.07013 |
| Heavy Atoms | 17 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 56862-92-1 |
|---|---|
| SMILES | CCC(CC)(COS(=O)(=O)C)COS(=O)(=O)C |
| InChIKey | BMLZMLKREPRGAS-UHFFFAOYSA-N |
Product Overview
2,2-二乙基-1,3-丙二醇二甲磺酸酯 (CAS 56862-92-1), with molecular formula C9H20O6S2 and molecular weight 288.07 g/mol. IUPAC: [2-ethyl-2-(methylsulfonyloxymethyl)butyl] methanesulfonate.
Chemical Property Profile of 2,2-二乙基-1,3-丙二醇二甲磺酸酯
Property Insights of 2,2-二乙基-1,3-丙二醇二甲磺酸酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二乙基-1,3-丙二醇二甲磺酸酯. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-二乙基-1,3-丙二醇二甲磺酸酯. Following Lipinski's Rule of Five, 2,2-二乙基-1,3-丙二醇二甲磺酸酯 has 0 hydrogen bond donor(s) and 6 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 2,2-二乙基-1,3-丙二醇二甲磺酸酯?
The CAS number of 2,2-二乙基-1,3-丙二醇二甲磺酸酯 is 56862-92-1.
What is the molecular formula of 2,2-二乙基-1,3-丙二醇二甲磺酸酯?
The molecular formula of 2,2-二乙基-1,3-丙二醇二甲磺酸酯 is C9H20O6S2.
What is the molecular weight of 2,2-二乙基-1,3-丙二醇二甲磺酸酯?
The molecular weight of 2,2-二乙基-1,3-丙二醇二甲磺酸酯 is 288.07 g/mol.
Where can I buy 2,2-二乙基-1,3-丙二醇二甲磺酸酯?
You can request a quote for 2,2-二乙基-1,3-丙二醇二甲磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二乙基-1,3-丙二醇二甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二乙基-1,3-丙二醇二甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.