1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate
TL;DR: 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate (CAS 56666-75-2) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-ynyl acetate
Also Known As: 1,3-Dioxolane-4-methanol, .alpha.-ethynyl-2,2-dimethyl-, acetate, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-ynyl acetate, alpha-Ethynyl-2,2-dimethyl-1,3-dioxolane-4-methanol acetate, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-yn-1-yl acetate, 3-O-Acetyl-1,2-dideoxy-4,5-O-(1-methylethylidene)pent-1-ynitol #
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 56666-75-2 |
|---|---|
| SMILES | CC(=O)OC(C#C)C1COC(O1)(C)C |
| InChIKey | FPBUAXBZPVPQEJ-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate (CAS 56666-75-2), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: 1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-ynyl acetate.
Chemical Property Profile of 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate
Property Insights of 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, 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-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate?
The CAS number of 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate is 56666-75-2.
What is the molecular formula of 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate?
The molecular formula of 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate is C10H14O4.
What is the molecular weight of 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate?
The molecular weight of 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate is 198.09 g/mol.
Where can I buy 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate?
You can request a quote for 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, 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-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane-4-methanol, alpha-ethynyl-2,2-dimethyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.