Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate
TL;DR: Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate (CAS 85152-95-0) is a chemical compound with molecular formula C11H14O6 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(5-oxooxolan-2-ylidene)propanedioate
Also Known As: diethyl 2-(5-oxooxolan-2-ylidene)propanedioate, Diethyl (5-oxooxolan-2-ylidene)propanedioate, Diethyl 2-(5-oxodihydrofuran-2(3H)-ylidene)malonate, (5-oxo-dihydro-[2]furylidene)-malonic acid diethyl ester, (DIHYDRO-5-OXO-2(3H)-FURANYLIDENE)PROPANEDIOIC ACID, DIETHYL ESTER
| Molecular Formula | C11H14O6 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.07904 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 85152-95-0 |
|---|---|
| SMILES | CCOC(=O)C(=C1CCC(=O)O1)C(=O)OCC |
| InChIKey | HPIJXOBAQIJESE-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate (CAS 85152-95-0), with molecular formula C11H14O6 and molecular weight 242.08 g/mol. IUPAC: diethyl 2-(5-oxooxolan-2-ylidene)propanedioate.
Chemical Property Profile of Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate
Property Insights of Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate has 0 hydrogen bond donor(s) and 6 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-(5-oxooxolan-2-ylidene)propanedioate?
The CAS number of Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate is 85152-95-0.
What is the molecular formula of Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate?
The molecular formula of Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate is C11H14O6.
What is the molecular weight of Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate?
The molecular weight of Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate is 242.08 g/mol.
Where can I buy Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate?
You can request a quote for Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(5-oxooxolan-2-ylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.