Octanoic acid, 8-chloro-6-oxo-, ethyl ester
TL;DR: Octanoic acid, 8-chloro-6-oxo-, ethyl ester (CAS 50628-91-6) is a chemical compound with molecular formula C10H17ClO3 and molecular weight 220.08662 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 8-chloro-6-oxooctanoate
Also Known As: ethyl 8-chloro-6-oxooctanoate, 8-chloro-6-oxo-octanoic acid ethyl ester, 8-Chloro-6-oxooctanoic acid ethyl ester, Ethyl-6-oxo-8-chloroctanoate, Thioctic Acid Impurity 7
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H17ClO3 |
| Molecular Weight | 220.08662 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 220.08662 Da |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
| SMILES | CCOC(=O)CCCCC(=O)CCCl |
| InChIKey | NPJCCMWYKLAISW-UHFFFAOYSA-N |
Chemical Property Profile of Octanoic acid, 8-chloro-6-oxo-, ethyl ester
Property Insights of Octanoic acid, 8-chloro-6-oxo-, ethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanoic acid, 8-chloro-6-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Octanoic acid, 8-chloro-6-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoic acid, 8-chloro-6-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 Octanoic acid, 8-chloro-6-oxo-, ethyl ester?
The CAS number of Octanoic acid, 8-chloro-6-oxo-, ethyl ester is 50628-91-6.
What is the molecular formula of Octanoic acid, 8-chloro-6-oxo-, ethyl ester?
The molecular formula of Octanoic acid, 8-chloro-6-oxo-, ethyl ester is C10H17ClO3.
What is the molecular weight of Octanoic acid, 8-chloro-6-oxo-, ethyl ester?
The molecular weight of Octanoic acid, 8-chloro-6-oxo-, ethyl ester is 220.08662 g/mol.
Where can I buy Octanoic acid, 8-chloro-6-oxo-, ethyl ester?
You can request a quote for Octanoic acid, 8-chloro-6-oxo-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octanoic acid, 8-chloro-6-oxo-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Octanoic acid, 8-chloro-6-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.