1,3-Diethyl 2-(2-buten-1-yl)propanedioate
TL;DR: 1,3-Diethyl 2-(2-buten-1-yl)propanedioate (CAS 7565-66-4) is a chemical compound with molecular formula C11H18O4 and molecular weight 214.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-but-2-enylpropanedioate
Also Known As: diethyl but-2-enylmalonate, Diethyl (but-2-en-1-yl)propanedioate, 1,3-Diethyl 2-(2-buten-1-yl)propanedioate
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 214.12051 |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 7565-66-4 |
|---|---|
| SMILES | CCOC(=O)C(CC=CC)C(=O)OCC |
| InChIKey | FAGUWAFYGLVLTA-UHFFFAOYSA-N |
Product Overview
1,3-Diethyl 2-(2-buten-1-yl)propanedioate (CAS 7565-66-4), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: diethyl 2-but-2-enylpropanedioate.
Chemical Property Profile of 1,3-Diethyl 2-(2-buten-1-yl)propanedioate
Property Insights of 1,3-Diethyl 2-(2-buten-1-yl)propanedioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-(2-buten-1-yl)propanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Diethyl 2-(2-buten-1-yl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl 2-(2-buten-1-yl)propanedioate 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-Diethyl 2-(2-buten-1-yl)propanedioate?
The CAS number of 1,3-Diethyl 2-(2-buten-1-yl)propanedioate is 7565-66-4.
What is the molecular formula of 1,3-Diethyl 2-(2-buten-1-yl)propanedioate?
The molecular formula of 1,3-Diethyl 2-(2-buten-1-yl)propanedioate is C11H18O4.
What is the molecular weight of 1,3-Diethyl 2-(2-buten-1-yl)propanedioate?
The molecular weight of 1,3-Diethyl 2-(2-buten-1-yl)propanedioate is 214.12 g/mol.
Where can I buy 1,3-Diethyl 2-(2-buten-1-yl)propanedioate?
You can request a quote for 1,3-Diethyl 2-(2-buten-1-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-(2-buten-1-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-(2-buten-1-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.