Diethyl 2-oxo-3-(2-oxopropyl)butanedioate
TL;DR: Diethyl 2-oxo-3-(2-oxopropyl)butanedioate (CAS 79645-00-4) is a chemical compound with molecular formula C11H16O6 and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-oxo-3-(2-oxopropyl)butanedioate
Also Known As: diethyl 2-oxo-3-(2-oxopropyl)butanedioate, NCIOpen2_005759, acetonyl-oxalacetic acid diethyl ester, Butanedioic acid,2-oxo-3-(2-oxopropyl)-, 1,4-diethyl ester, RefChem:337845
| Molecular Formula | C11H16O6 |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 244.09468 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 79645-00-4 |
|---|---|
| SMILES | CCOC(=O)C(CC(=O)C)C(=O)C(=O)OCC |
| InChIKey | CRJCPXJCRJEBJW-UHFFFAOYSA-N |
Product Overview
Diethyl 2-oxo-3-(2-oxopropyl)butanedioate (CAS 79645-00-4), with molecular formula C11H16O6 and molecular weight 244.09 g/mol. IUPAC: diethyl 2-oxo-3-(2-oxopropyl)butanedioate.
Chemical Property Profile of Diethyl 2-oxo-3-(2-oxopropyl)butanedioate
Property Insights of Diethyl 2-oxo-3-(2-oxopropyl)butanedioate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-oxo-3-(2-oxopropyl)butanedioate. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-oxo-3-(2-oxopropyl)butanedioate. Following Lipinski's Rule of Five, Diethyl 2-oxo-3-(2-oxopropyl)butanedioate 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-oxo-3-(2-oxopropyl)butanedioate?
The CAS number of Diethyl 2-oxo-3-(2-oxopropyl)butanedioate is 79645-00-4.
What is the molecular formula of Diethyl 2-oxo-3-(2-oxopropyl)butanedioate?
The molecular formula of Diethyl 2-oxo-3-(2-oxopropyl)butanedioate is C11H16O6.
What is the molecular weight of Diethyl 2-oxo-3-(2-oxopropyl)butanedioate?
The molecular weight of Diethyl 2-oxo-3-(2-oxopropyl)butanedioate is 244.09 g/mol.
Where can I buy Diethyl 2-oxo-3-(2-oxopropyl)butanedioate?
You can request a quote for Diethyl 2-oxo-3-(2-oxopropyl)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-oxo-3-(2-oxopropyl)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-oxo-3-(2-oxopropyl)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.