Diethyl acetonedicarboxylate
TL;DR: Diethyl acetonedicarboxylate (CAS 105-50-0) is a chemical compound with molecular formula C9H14O5 and molecular weight 202.08412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 3-oxopentanedioate
Also Known As: Diethyl 3-oxopentanedioate, Diethyl 1,3-acetonedicarboxylate, Diethyl 3-oxoglutarate, Ethyl 3-oxoglutarate, Ethyl acetonedicarboxylate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14O5 |
| Molecular Weight | 202.08412 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.08412 Da |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
| SMILES | CCOC(=O)CC(=O)CC(=O)OCC |
| InChIKey | ZSANYRMTSBBUCA-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl acetonedicarboxylate
Property Insights of Diethyl acetonedicarboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl acetonedicarboxylate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl acetonedicarboxylate. Following Lipinski's Rule of Five, Diethyl acetonedicarboxylate has 0 hydrogen bond donor(s) and 5 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 acetonedicarboxylate?
The CAS number of Diethyl acetonedicarboxylate is 105-50-0.
What is the molecular formula of Diethyl acetonedicarboxylate?
The molecular formula of Diethyl acetonedicarboxylate is C9H14O5.
What is the molecular weight of Diethyl acetonedicarboxylate?
The molecular weight of Diethyl acetonedicarboxylate is 202.08412 g/mol.
Where can I buy Diethyl acetonedicarboxylate?
You can request a quote for Diethyl acetonedicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl acetonedicarboxylate?
Yes, CoreyChem provides custom synthesis services for Diethyl acetonedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.