Ethyl 5-chloro-5-oxovalerate
TL;DR: Ethyl 5-chloro-5-oxovalerate (CAS 5205-39-0) is a chemical compound with molecular formula C7H11ClO3 and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-5-oxopentanoate
Also Known As: ethyl 5-chloro-5-oxopentanoate, Ethyl glutaryl chloride, Ethyl 4-(chloroformyl)butyrate, 4-Aanl, Ethyl Glutarul Chloride
| Molecular Formula | C7H11ClO3 |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.03967 |
| Heavy Atoms | 11 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 5205-39-0 |
|---|---|
| SMILES | CCOC(=O)CCCC(=O)Cl |
| InChIKey | KKJAQUGGQMCNJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-chloro-5-oxovalerate (CAS 5205-39-0), with molecular formula C7H11ClO3 and molecular weight 178.04 g/mol. IUPAC: ethyl 5-chloro-5-oxopentanoate.
Chemical Property Profile of Ethyl 5-chloro-5-oxovalerate
Property Insights of Ethyl 5-chloro-5-oxovalerate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-chloro-5-oxovalerate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 5-chloro-5-oxovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-chloro-5-oxovalerate 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 5-chloro-5-oxovalerate?
The CAS number of Ethyl 5-chloro-5-oxovalerate is 5205-39-0.
What is the molecular formula of Ethyl 5-chloro-5-oxovalerate?
The molecular formula of Ethyl 5-chloro-5-oxovalerate is C7H11ClO3.
What is the molecular weight of Ethyl 5-chloro-5-oxovalerate?
The molecular weight of Ethyl 5-chloro-5-oxovalerate is 178.04 g/mol.
Where can I buy Ethyl 5-chloro-5-oxovalerate?
You can request a quote for Ethyl 5-chloro-5-oxovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-chloro-5-oxovalerate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-chloro-5-oxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.