Diethyl 2-but-2-enylidenepropanedioate
TL;DR: Diethyl 2-but-2-enylidenepropanedioate (CAS 17448-95-2) 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-2-enylidenepropanedioate
Also Known As: diethyl 2-but-2-enylidenepropanedioate, diethyl but-2-en-1-ylidenepropanedioate, diethyl 2-[(Z)-but-2-enylidene]propanedioate
| Molecular Formula | C11H16O4 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.10486 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 17448-95-2 |
|---|---|
| SMILES | CCOC(=O)C(=CC=CC)C(=O)OCC |
| InChIKey | GZOCBLHSKQXUJV-UHFFFAOYSA-N |
Product Overview
Diethyl 2-but-2-enylidenepropanedioate (CAS 17448-95-2), with molecular formula C11H16O4 and molecular weight 212.10 g/mol. IUPAC: diethyl 2-but-2-enylidenepropanedioate.
Chemical Property Profile of Diethyl 2-but-2-enylidenepropanedioate
Property Insights of Diethyl 2-but-2-enylidenepropanedioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-but-2-enylidenepropanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-but-2-enylidenepropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-but-2-enylidenepropanedioate 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 2-but-2-enylidenepropanedioate?
The CAS number of Diethyl 2-but-2-enylidenepropanedioate is 17448-95-2.
What is the molecular formula of Diethyl 2-but-2-enylidenepropanedioate?
The molecular formula of Diethyl 2-but-2-enylidenepropanedioate is C11H16O4.
What is the molecular weight of Diethyl 2-but-2-enylidenepropanedioate?
The molecular weight of Diethyl 2-but-2-enylidenepropanedioate is 212.10 g/mol.
Where can I buy Diethyl 2-but-2-enylidenepropanedioate?
You can request a quote for Diethyl 2-but-2-enylidenepropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-but-2-enylidenepropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-but-2-enylidenepropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.