1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate
TL;DR: 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate (CAS 68039-72-5) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-1,3-dioxolan-2-yl)ethyl acetate
Also Known As: 2-Methyl-2-(acetoxyethyl)dioxolane, 1,3-Dioxolane-2-ethanol, 2-methyl-, acetate, 2-(2-Methyl-1,3-dioxolan-2-yl)ethyl acetate, 2-Methyl-1,3-dioxolan-2-ylethyl acetate, 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 68039-72-5 |
|---|---|
| SMILES | CC(=O)OCCC1(OCCO1)C |
| InChIKey | JXLFMIKKQFNHAA-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate (CAS 68039-72-5), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 2-(2-methyl-1,3-dioxolan-2-yl)ethyl acetate.
Chemical Property Profile of 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate
Property Insights of 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate has 0 hydrogen bond donor(s) and 4 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 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate?
The CAS number of 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate is 68039-72-5.
What is the molecular formula of 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate?
The molecular formula of 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate is C8H14O4.
What is the molecular weight of 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate?
The molecular weight of 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate is 174.09 g/mol.
Where can I buy 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate?
You can request a quote for 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.