Hexanoic acid, 6-chloro-6-oxo-, ethyl ester
TL;DR: Hexanoic acid, 6-chloro-6-oxo-, ethyl ester (CAS 1071-71-2) is a chemical compound with molecular formula C8H13ClO3 and molecular weight 192.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-6-oxohexanoate
Also Known As: Ethyl 6-chloro-6-oxohexanoate, Lipoic acid impurity 15, ethyl 5-chloroformylpentanoate, Thioctic Acid Impurity 11, Ethyl6-chloro-6-oxohexanoate
| Molecular Formula | C8H13ClO3 |
|---|---|
| Molecular Weight | 192.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 192.05533 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 1071-71-2 |
|---|---|
| SMILES | CCOC(=O)CCCCC(=O)Cl |
| InChIKey | VEOZBFFLKPBVIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 6-chloro-6-oxo-, ethyl ester (CAS 1071-71-2), with molecular formula C8H13ClO3 and molecular weight 192.06 g/mol. IUPAC: ethyl 6-chloro-6-oxohexanoate.
Chemical Property Profile of Hexanoic acid, 6-chloro-6-oxo-, ethyl ester
Property Insights of Hexanoic acid, 6-chloro-6-oxo-, ethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 6-chloro-6-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Hexanoic acid, 6-chloro-6-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 6-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
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 6-chloro-6-oxo-, ethyl ester?
The CAS number of Hexanoic acid, 6-chloro-6-oxo-, ethyl ester is 1071-71-2.
What is the molecular formula of Hexanoic acid, 6-chloro-6-oxo-, ethyl ester?
The molecular formula of Hexanoic acid, 6-chloro-6-oxo-, ethyl ester is C8H13ClO3.
What is the molecular weight of Hexanoic acid, 6-chloro-6-oxo-, ethyl ester?
The molecular weight of Hexanoic acid, 6-chloro-6-oxo-, ethyl ester is 192.06 g/mol.
Where can I buy Hexanoic acid, 6-chloro-6-oxo-, ethyl ester?
You can request a quote for Hexanoic acid, 6-chloro-6-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 6-chloro-6-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 6-chloro-6-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.