Diethyl chloromalonate
TL;DR: Diethyl chloromalonate (CAS 14064-10-9) is a chemical compound with molecular formula C7H11ClO4 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-chloropropanedioate
Also Known As: Diethyl chloromalonate, Diethyl 2-chloromalonate, Ethyl chloromalonate, Ethylmonochloromalonate, diethyl 2-chloropropanedioate
| Molecular Formula | C7H11ClO4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.03459 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 14064-10-9 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)Cl |
| InChIKey | WLWCQKMQYZFTDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl chloromalonate (CAS 14064-10-9), with molecular formula C7H11ClO4 and molecular weight 194.03 g/mol. IUPAC: diethyl 2-chloropropanedioate.
Chemical Property Profile of Diethyl chloromalonate
Property Insights of Diethyl chloromalonate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl chloromalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl chloromalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl chloromalonate has 0 hydrogen bond donor(s) and 4 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 Diethyl chloromalonate?
The CAS number of Diethyl chloromalonate is 14064-10-9.
What is the molecular formula of Diethyl chloromalonate?
The molecular formula of Diethyl chloromalonate is C7H11ClO4.
What is the molecular weight of Diethyl chloromalonate?
The molecular weight of Diethyl chloromalonate is 194.03 g/mol.
Where can I buy Diethyl chloromalonate?
You can request a quote for Diethyl chloromalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl chloromalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl chloromalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.