1,2-Diacetoxy-1-ethoxyethane
TL;DR: 1,2-Diacetoxy-1-ethoxyethane (CAS 3100-09-2) is a chemical compound with molecular formula C8H14O5 and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-2-ethoxyethyl) acetate
Also Known As: 1,2-Diacetoxy-1-ethoxyethane, 1,2-diacetoxy-1-ethoxy-ethane, 2-(Acetyloxy)-1-ethoxyethyl acetate, Diacetic acid 1-ethoxyethylene ester, (2-acetyloxy-2-ethoxyethyl) acetate
| Molecular Formula | C8H14O5 |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 190.08412 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 3100-09-2 |
|---|---|
| SMILES | CCOC(COC(=O)C)OC(=O)C |
| InChIKey | PNYDHXOBDPHQNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Diacetoxy-1-ethoxyethane (CAS 3100-09-2), with molecular formula C8H14O5 and molecular weight 190.08 g/mol. IUPAC: (2-acetyloxy-2-ethoxyethyl) acetate.
Chemical Property Profile of 1,2-Diacetoxy-1-ethoxyethane
Property Insights of 1,2-Diacetoxy-1-ethoxyethane
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Diacetoxy-1-ethoxyethane. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Diacetoxy-1-ethoxyethane. Following Lipinski's Rule of Five, 1,2-Diacetoxy-1-ethoxyethane has 0 hydrogen bond donor(s) and 5 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 1,2-Diacetoxy-1-ethoxyethane?
The CAS number of 1,2-Diacetoxy-1-ethoxyethane is 3100-09-2.
What is the molecular formula of 1,2-Diacetoxy-1-ethoxyethane?
The molecular formula of 1,2-Diacetoxy-1-ethoxyethane is C8H14O5.
What is the molecular weight of 1,2-Diacetoxy-1-ethoxyethane?
The molecular weight of 1,2-Diacetoxy-1-ethoxyethane is 190.08 g/mol.
Where can I buy 1,2-Diacetoxy-1-ethoxyethane?
You can request a quote for 1,2-Diacetoxy-1-ethoxyethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Diacetoxy-1-ethoxyethane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Diacetoxy-1-ethoxyethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.