Hexanoic acid, 6-chloro-, ethyl ester
TL;DR: Hexanoic acid, 6-chloro-, ethyl ester (CAS 10140-96-2) is a chemical compound with molecular formula C8H15ClO2 and molecular weight 178.07605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-chlorohexanoate
Also Known As: Ethyl 6-chlorohexanoate, 6-Chlorethylhexanoat, Ethyl6-chlorohexanoate, HEXANOIC ACID, 6-CHLORO-, ETHYL ESTER, 6-Chlorohexanoic acid, ethyl ester
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H15ClO2 |
| Molecular Weight | 178.07605 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 178.07605 Da |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
| SMILES | CCOC(=O)CCCCCCl |
| InChIKey | QYZFPLZQMZFBAZ-UHFFFAOYSA-N |
Chemical Property Profile of Hexanoic acid, 6-chloro-, ethyl ester
Property Insights of Hexanoic acid, 6-chloro-, ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 6-chloro-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Hexanoic acid, 6-chloro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 6-chloro-, ethyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 6-chloro-, ethyl ester?
The CAS number of Hexanoic acid, 6-chloro-, ethyl ester is 10140-96-2.
What is the molecular formula of Hexanoic acid, 6-chloro-, ethyl ester?
The molecular formula of Hexanoic acid, 6-chloro-, ethyl ester is C8H15ClO2.
What is the molecular weight of Hexanoic acid, 6-chloro-, ethyl ester?
The molecular weight of Hexanoic acid, 6-chloro-, ethyl ester is 178.07605 g/mol.
Where can I buy Hexanoic acid, 6-chloro-, ethyl ester?
You can request a quote for Hexanoic acid, 6-chloro-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexanoic acid, 6-chloro-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Hexanoic acid, 6-chloro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.