Butanoic acid, 4-chloro-4-oxo-, ethyl ester
TL;DR: Butanoic acid, 4-chloro-4-oxo-, ethyl ester (CAS 14794-31-1) is a chemical compound with molecular formula C6H9ClO3 and molecular weight 164.02402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-chloro-4-oxobutanoate
Also Known As: Ethyl succinyl chloride, Ethyl 4-chloro-4-oxobutanoate, Ethyl 4-chloro-4-oxobutyrate, Ethyl 3-(chloroformyl)propionate, Ethyl succinoyl chloride
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H9ClO3 |
| Molecular Weight | 164.02402 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.02402 Da |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
| SMILES | CCOC(=O)CCC(=O)Cl |
| InChIKey | IXZFDJXHLQQSGQ-UHFFFAOYSA-N |
Chemical Property Profile of Butanoic acid, 4-chloro-4-oxo-, ethyl ester
Property Insights of Butanoic acid, 4-chloro-4-oxo-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-chloro-4-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Butanoic acid, 4-chloro-4-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4-chloro-4-oxo-, ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butanoic acid, 4-chloro-4-oxo-, ethyl ester?
The CAS number of Butanoic acid, 4-chloro-4-oxo-, ethyl ester is 14794-31-1.
What is the molecular formula of Butanoic acid, 4-chloro-4-oxo-, ethyl ester?
The molecular formula of Butanoic acid, 4-chloro-4-oxo-, ethyl ester is C6H9ClO3.
What is the molecular weight of Butanoic acid, 4-chloro-4-oxo-, ethyl ester?
The molecular weight of Butanoic acid, 4-chloro-4-oxo-, ethyl ester is 164.02402 g/mol.
Where can I buy Butanoic acid, 4-chloro-4-oxo-, ethyl ester?
You can request a quote for Butanoic acid, 4-chloro-4-oxo-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, 4-chloro-4-oxo-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, 4-chloro-4-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.