Diethyl 2-cyano-3-oxosuccinate
TL;DR: Diethyl 2-cyano-3-oxosuccinate (CAS 134840-81-6) is a chemical compound with molecular formula C9H11NO5 and molecular weight 213.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-cyano-3-oxobutanedioate
Also Known As: diethyl 2-cyano-3-oxosuccinate, diethyl 2-cyano-3-oxobutanedioate, 1,4-diethyl 2-cyano-3-oxobutanedioate, cyano-oxalacetic acid diethyl ester, 3871AD
Technical Specifications
| Molecular Formula | C9H11NO5 |
| Molecular Weight | 213.06372 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 213.06372 Da |
| Heavy Atoms | 15 |
| Complexity | 314.0 |
| SMILES | CCOC(=O)C(C#N)C(=O)C(=O)OCC |
| InChIKey | FTSVKFGREWPODP-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2-cyano-3-oxosuccinate
Property Insights of Diethyl 2-cyano-3-oxosuccinate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-cyano-3-oxosuccinate. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-cyano-3-oxosuccinate. Following Lipinski's Rule of Five, Diethyl 2-cyano-3-oxosuccinate 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
What is the CAS number of Diethyl 2-cyano-3-oxosuccinate?
The CAS number of Diethyl 2-cyano-3-oxosuccinate is 134840-81-6.
What is the molecular formula of Diethyl 2-cyano-3-oxosuccinate?
The molecular formula of Diethyl 2-cyano-3-oxosuccinate is C9H11NO5.
What is the molecular weight of Diethyl 2-cyano-3-oxosuccinate?
The molecular weight of Diethyl 2-cyano-3-oxosuccinate is 213.06372 g/mol.
Where can I buy Diethyl 2-cyano-3-oxosuccinate?
You can request a quote for Diethyl 2-cyano-3-oxosuccinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-cyano-3-oxosuccinate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-cyano-3-oxosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.