Ethyl 6-(Chloroformyl)hexanoate
TL;DR: Ethyl 6-(Chloroformyl)hexanoate (CAS 14794-32-2) is a chemical compound with molecular formula C9H15ClO3 and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-chloro-7-oxoheptanoate
Also Known As: Ethyl 6-(Chloroformyl)hexanoate, Ethyl 7-chloro-7-oxoheptanoate, 6-(Chloroformyl)hexanoic Acid Ethyl Ester, PINANYLMERCAPTAN, ethyl 6-chloroformylhexanoate
| Molecular Formula | C9H15ClO3 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 206.07097 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 14794-32-2 |
|---|---|
| SMILES | CCOC(=O)CCCCCC(=O)Cl |
| InChIKey | NYZNYLOIPHDFKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 6-(Chloroformyl)hexanoate (CAS 14794-32-2), with molecular formula C9H15ClO3 and molecular weight 206.07 g/mol. IUPAC: ethyl 7-chloro-7-oxoheptanoate.
Chemical Property Profile of Ethyl 6-(Chloroformyl)hexanoate
Property Insights of Ethyl 6-(Chloroformyl)hexanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-(Chloroformyl)hexanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 6-(Chloroformyl)hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-(Chloroformyl)hexanoate 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 Ethyl 6-(Chloroformyl)hexanoate?
The CAS number of Ethyl 6-(Chloroformyl)hexanoate is 14794-32-2.
What is the molecular formula of Ethyl 6-(Chloroformyl)hexanoate?
The molecular formula of Ethyl 6-(Chloroformyl)hexanoate is C9H15ClO3.
What is the molecular weight of Ethyl 6-(Chloroformyl)hexanoate?
The molecular weight of Ethyl 6-(Chloroformyl)hexanoate is 206.07 g/mol.
Where can I buy Ethyl 6-(Chloroformyl)hexanoate?
You can request a quote for Ethyl 6-(Chloroformyl)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-(Chloroformyl)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(Chloroformyl)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.