Ethyl 2,2-diethoxypropionate
TL;DR: Ethyl 2,2-diethoxypropionate (CAS 7476-20-2) is a chemical compound with molecular formula C9H18O4 and molecular weight 190.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,2-diethoxypropanoate
Also Known As: Ethyl 2,2-diethoxypropanoate, Ethyl 2,2-diethoxypropionate, Ethyl Pyruvate Acetal, Propanoic acid, 2,2-diethoxy-, ethyl ester, ethyl pyruvate diethyl ketal
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O4 |
| Molecular Weight | 190.12051 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 190.12051 Da |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
| SMILES | CCOC(=O)C(C)(OCC)OCC |
| InChIKey | BVAMIFTXHAJQHP-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2,2-diethoxypropionate
Property Insights of Ethyl 2,2-diethoxypropionate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2-diethoxypropionate. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 2,2-diethoxypropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-diethoxypropionate 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
What is the CAS number of Ethyl 2,2-diethoxypropionate?
The CAS number of Ethyl 2,2-diethoxypropionate is 7476-20-2.
What is the molecular formula of Ethyl 2,2-diethoxypropionate?
The molecular formula of Ethyl 2,2-diethoxypropionate is C9H18O4.
What is the molecular weight of Ethyl 2,2-diethoxypropionate?
The molecular weight of Ethyl 2,2-diethoxypropionate is 190.12051 g/mol.
Where can I buy Ethyl 2,2-diethoxypropionate?
You can request a quote for Ethyl 2,2-diethoxypropionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2,2-diethoxypropionate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2,2-diethoxypropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.