Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate
TL;DR: Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate (CAS 1842-22-4) is a chemical compound with molecular formula C9H12F3NO4 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1-amino-2,2,2-trifluoroethylidene)propanedioate
Also Known As: BIM-0011476.P001, diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate, 1-Amino-1-trifluormethyl-2,2-aethoxycarbonyl-aethylen, diethyl (1-amino-2,2,2-trifluoroethylidene)malonate, diethyl 2-(1-amino-2,2,2-trifluoroethylidene)propanedioate
| Molecular Formula | C9H12F3NO4 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 0.8877 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.07184 |
| Heavy Atoms | 17 |
| Complexity | 315.6229 |
Chemical Identifiers
| CAS Number | 1842-22-4 |
|---|---|
| SMILES | CCOC(=O)C(=C(C(F)(F)F)N)C(=O)OCC |
Product Overview
Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate (CAS 1842-22-4), with molecular formula C9H12F3NO4 and molecular weight 255.07 g/mol. IUPAC: diethyl 2-(1-amino-2,2,2-trifluoroethylidene)propanedioate.
Chemical Property Profile of Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate
Property Insights of Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate
The XLogP value of 0.8877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate. Following Lipinski's Rule of Five, Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate has 1 hydrogen bond donor(s) and 5 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 (1-amino-2,2,2-trifluoroethylidene)propanedioate?
The CAS number of Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate is 1842-22-4.
What is the molecular formula of Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate?
The molecular formula of Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate is C9H12F3NO4.
What is the molecular weight of Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate?
The molecular weight of Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate is 255.07 g/mol.
Where can I buy Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate?
You can request a quote for Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (1-amino-2,2,2-trifluoroethylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.