Ethyl 7-chloroheptanoate
TL;DR: Ethyl 7-chloroheptanoate (CAS 26040-65-3) is a chemical compound with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-chloroheptanoate
Also Known As: ethyl 7-chloroheptanoate, 7-Chloroheptanoic acid ethyl ester, Heptanoic acid, 7-chloro, ethyl ester, 7-chloroenanthic acid ethyl ester, Heptanoic acid, 7-chloro-, ethyl ester
| Molecular Formula | C9H17ClO2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 192.0917 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 26040-65-3 |
|---|---|
| SMILES | CCOC(=O)CCCCCCCl |
| InChIKey | MTVFBQCYLUWYAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 7-chloroheptanoate (CAS 26040-65-3), with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol. IUPAC: ethyl 7-chloroheptanoate.
Chemical Property Profile of Ethyl 7-chloroheptanoate
Property Insights of Ethyl 7-chloroheptanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7-chloroheptanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 7-chloroheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 7-chloroheptanoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 7-chloroheptanoate?
The CAS number of Ethyl 7-chloroheptanoate is 26040-65-3.
What is the molecular formula of Ethyl 7-chloroheptanoate?
The molecular formula of Ethyl 7-chloroheptanoate is C9H17ClO2.
What is the molecular weight of Ethyl 7-chloroheptanoate?
The molecular weight of Ethyl 7-chloroheptanoate is 192.09 g/mol.
Where can I buy Ethyl 7-chloroheptanoate?
You can request a quote for Ethyl 7-chloroheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 7-chloroheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-chloroheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.