2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester
TL;DR: 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester (CAS 28109-92-4) is a chemical compound with molecular formula C7H7Cl3O4 and molecular weight 259.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2,2,2-trichloroethylidene)propanedioate
Also Known As: dimethyl 2,2,2-trichloroethylidenemalonate, dimethyl 2-(2,2,2-trichloroethylidene)propanedioate, dimethyl(2,2,2-trichloroethylidene)propanedioate, dimethyl (2,2,2-trichloroethylidene)propanedioate, 2-(2,2,2-TRICHLORO-ETHYLIDENE)-MALONIC ACID DIMETHYL ESTER
| Molecular Formula | C7H7Cl3O4 |
|---|---|
| Molecular Weight | 259.94 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.94098 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 28109-92-4 |
|---|---|
| SMILES | COC(=O)C(=CC(Cl)(Cl)Cl)C(=O)OC |
| InChIKey | SQHWBKHYFKAPLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester (CAS 28109-92-4), with molecular formula C7H7Cl3O4 and molecular weight 259.94 g/mol. IUPAC: dimethyl 2-(2,2,2-trichloroethylidene)propanedioate.
Chemical Property Profile of 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester
Property Insights of 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester 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 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester?
The CAS number of 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester is 28109-92-4.
What is the molecular formula of 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester?
The molecular formula of 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester is C7H7Cl3O4.
What is the molecular weight of 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester?
The molecular weight of 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester is 259.94 g/mol.
Where can I buy 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester?
You can request a quote for 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2,2-Trichloro-ethylidene)-malonic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.