Diethyl 2-butan-2-ylidenepropanedioate
TL;DR: Diethyl 2-butan-2-ylidenepropanedioate (CAS 41589-39-3) 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-butan-2-ylidenepropanedioate
Also Known As: diethyl 2-butan-2-ylidenepropanedioate, diethyl 2-(butan-2-ylidene)malonate, Diethyl (butan-2-ylidene)propanedioate, (1-Methylpropyliden)malonsaeure-diethylester, Methyl-aethyl-methylenmalonsaeurediathylester
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 214.12051 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 41589-39-3 |
|---|---|
| SMILES | CCC(=C(C(=O)OCC)C(=O)OCC)C |
| InChIKey | JVJLPIVLUUSKPW-UHFFFAOYSA-N |
Product Overview
Diethyl 2-butan-2-ylidenepropanedioate (CAS 41589-39-3), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: diethyl 2-butan-2-ylidenepropanedioate.
Chemical Property Profile of Diethyl 2-butan-2-ylidenepropanedioate
Property Insights of Diethyl 2-butan-2-ylidenepropanedioate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-butan-2-ylidenepropanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-butan-2-ylidenepropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-butan-2-ylidenepropanedioate 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-butan-2-ylidenepropanedioate?
The CAS number of Diethyl 2-butan-2-ylidenepropanedioate is 41589-39-3.
What is the molecular formula of Diethyl 2-butan-2-ylidenepropanedioate?
The molecular formula of Diethyl 2-butan-2-ylidenepropanedioate is C11H18O4.
What is the molecular weight of Diethyl 2-butan-2-ylidenepropanedioate?
The molecular weight of Diethyl 2-butan-2-ylidenepropanedioate is 214.12 g/mol.
Where can I buy Diethyl 2-butan-2-ylidenepropanedioate?
You can request a quote for Diethyl 2-butan-2-ylidenepropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-butan-2-ylidenepropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-butan-2-ylidenepropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.