Diethyl dichloromalonate
TL;DR: Diethyl dichloromalonate (CAS 20165-81-5) is a chemical compound with molecular formula C7H10Cl2O4 and molecular weight 228.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-dichloropropanedioate
Also Known As: Diethyl dichloromalonate, diethyl 2,2-dichloropropanedioate, diethyl dichloropropanedioate, Diethyl 2,2-dichloromalonate, Dichloromalonic acid diethyl ester
| Molecular Formula | C7H10Cl2O4 |
|---|---|
| Molecular Weight | 228.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.99562 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 20165-81-5 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)(Cl)Cl |
| InChIKey | QVRUXRSUYSWFJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl dichloromalonate (CAS 20165-81-5), with molecular formula C7H10Cl2O4 and molecular weight 228.00 g/mol. IUPAC: diethyl 2,2-dichloropropanedioate.
Chemical Property Profile of Diethyl dichloromalonate
Property Insights of Diethyl dichloromalonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl dichloromalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl dichloromalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl dichloromalonate 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 dichloromalonate?
The CAS number of Diethyl dichloromalonate is 20165-81-5.
What is the molecular formula of Diethyl dichloromalonate?
The molecular formula of Diethyl dichloromalonate is C7H10Cl2O4.
What is the molecular weight of Diethyl dichloromalonate?
The molecular weight of Diethyl dichloromalonate is 228.00 g/mol.
Where can I buy Diethyl dichloromalonate?
You can request a quote for Diethyl dichloromalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl dichloromalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl dichloromalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.