Ethyl 7-chloro-2-oxoheptanoate
TL;DR: Ethyl 7-chloro-2-oxoheptanoate (CAS 78834-75-0) 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-2-oxoheptanoate
Also Known As: Ethyl 7-chloro-2-oxoheptanoate, 24-Epibrassinolide, Cilastatin Impurity 11, ethyl 7-chloro-2-oxo heptanoate, ethyl 7-chloro-2-oxo-heptanoate
| Molecular Formula | C9H15ClO3 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 1.9178 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.07097 |
| Heavy Atoms | 13 |
| Complexity | 168.24275 |
Chemical Identifiers
| CAS Number | 78834-75-0 |
|---|---|
| SMILES | CCOC(=O)C(=O)CCCCCCl |
Product Overview
Ethyl 7-chloro-2-oxoheptanoate (CAS 78834-75-0), with molecular formula C9H15ClO3 and molecular weight 206.07 g/mol. IUPAC: ethyl 7-chloro-2-oxoheptanoate.
Chemical Property Profile of Ethyl 7-chloro-2-oxoheptanoate
Property Insights of Ethyl 7-chloro-2-oxoheptanoate
The XLogP value of 1.9178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7-chloro-2-oxoheptanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 7-chloro-2-oxoheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 7-chloro-2-oxoheptanoate 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 7-chloro-2-oxoheptanoate?
The CAS number of Ethyl 7-chloro-2-oxoheptanoate is 78834-75-0.
What is the molecular formula of Ethyl 7-chloro-2-oxoheptanoate?
The molecular formula of Ethyl 7-chloro-2-oxoheptanoate is C9H15ClO3.
What is the molecular weight of Ethyl 7-chloro-2-oxoheptanoate?
The molecular weight of Ethyl 7-chloro-2-oxoheptanoate is 206.07 g/mol.
Where can I buy Ethyl 7-chloro-2-oxoheptanoate?
You can request a quote for Ethyl 7-chloro-2-oxoheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 7-chloro-2-oxoheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-chloro-2-oxoheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.