Diethyl but-3-yn-2-ylpropanedioate
TL;DR: Diethyl but-3-yn-2-ylpropanedioate (CAS 68059-14-3) is a chemical compound with molecular formula C11H16O4 and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-but-3-yn-2-ylpropanedioate
Also Known As: diethyl but-3-yn-2-ylpropanedioate, diethyl 2-(but-3-yn-2-yl)malonate, diethyl 2-but-3-yn-2-ylpropanedioate, 1,3-Diethyl 2-(1-methyl-2-propyn-1-yl)propanedioate
| Molecular Formula | C11H16O4 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 0.9981 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.10486 |
| Heavy Atoms | 15 |
| Complexity | 246.25171 |
Chemical Identifiers
| CAS Number | 68059-14-3 |
|---|---|
| SMILES | CCOC(=O)C(C(C)C#C)C(=O)OCC |
Product Overview
Diethyl but-3-yn-2-ylpropanedioate (CAS 68059-14-3), with molecular formula C11H16O4 and molecular weight 212.10 g/mol. IUPAC: diethyl 2-but-3-yn-2-ylpropanedioate.
Chemical Property Profile of Diethyl but-3-yn-2-ylpropanedioate
Property Insights of Diethyl but-3-yn-2-ylpropanedioate
The XLogP value of 0.9981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl but-3-yn-2-ylpropanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl but-3-yn-2-ylpropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl but-3-yn-2-ylpropanedioate 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 Diethyl but-3-yn-2-ylpropanedioate?
The CAS number of Diethyl but-3-yn-2-ylpropanedioate is 68059-14-3.
What is the molecular formula of Diethyl but-3-yn-2-ylpropanedioate?
The molecular formula of Diethyl but-3-yn-2-ylpropanedioate is C11H16O4.
What is the molecular weight of Diethyl but-3-yn-2-ylpropanedioate?
The molecular weight of Diethyl but-3-yn-2-ylpropanedioate is 212.10 g/mol.
Where can I buy Diethyl but-3-yn-2-ylpropanedioate?
You can request a quote for Diethyl but-3-yn-2-ylpropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl but-3-yn-2-ylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl but-3-yn-2-ylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.