Diethyl 2,2,2-trichloroethylidenemalonate
TL;DR: Diethyl 2,2,2-trichloroethylidenemalonate (CAS 27971-92-2) is a chemical compound with molecular formula C9H11Cl3O4 and molecular weight 287.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2,2,2-trichloroethylidene)propanedioate
Also Known As: diethyl 2,2,2-trichloroethylidenemalonate, diethyl(2,2,2-trichloroethylidene)propanedioate, diethyl 2-(2,2,2-trichloroethylidene)propanedioate, J1.130.878C, Diethyl (2,2,2-trichloroethylidene)propanedioate
| Molecular Formula | C9H11Cl3O4 |
|---|---|
| Molecular Weight | 287.97 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.9723 |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 27971-92-2 |
|---|---|
| SMILES | CCOC(=O)C(=CC(Cl)(Cl)Cl)C(=O)OCC |
| InChIKey | PGCFNTNGUYQTQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,2,2-trichloroethylidenemalonate (CAS 27971-92-2), with molecular formula C9H11Cl3O4 and molecular weight 287.97 g/mol. IUPAC: diethyl 2-(2,2,2-trichloroethylidene)propanedioate.
Chemical Property Profile of Diethyl 2,2,2-trichloroethylidenemalonate
Property Insights of Diethyl 2,2,2-trichloroethylidenemalonate
The XLogP value of 3.1 indicates that Diethyl 2,2,2-trichloroethylidenemalonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2,2,2-trichloroethylidenemalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2,2,2-trichloroethylidenemalonate 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 2,2,2-trichloroethylidenemalonate?
The CAS number of Diethyl 2,2,2-trichloroethylidenemalonate is 27971-92-2.
What is the molecular formula of Diethyl 2,2,2-trichloroethylidenemalonate?
The molecular formula of Diethyl 2,2,2-trichloroethylidenemalonate is C9H11Cl3O4.
What is the molecular weight of Diethyl 2,2,2-trichloroethylidenemalonate?
The molecular weight of Diethyl 2,2,2-trichloroethylidenemalonate is 287.97 g/mol.
Where can I buy Diethyl 2,2,2-trichloroethylidenemalonate?
You can request a quote for Diethyl 2,2,2-trichloroethylidenemalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2,2-trichloroethylidenemalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2,2-trichloroethylidenemalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.