![Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate structure](/static/products/2377/23779-94-4.webp)
Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate
TL;DR: Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate (CAS 23779-94-4) is a chemical compound with molecular formula C15H16F3NO4 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate
Also Known As: 3-(4-Cyclohexylbenzoyl)acrylic acid, BAS 00440660, diethyl 2-{[2-(trifluoromethyl)anilino]methylene}malonate, diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate, 6J-002
| Molecular Formula | C15H16F3NO4 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.1274 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.10315 |
| Heavy Atoms | 23 |
| Complexity | 576.62994 |
Chemical Identifiers
| CAS Number | 23779-94-4 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC=C1C(F)(F)F)C(=O)OCC |
Product Overview
Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate (CAS 23779-94-4), with molecular formula C15H16F3NO4 and molecular weight 331.10 g/mol. IUPAC: diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate
Property Insights of Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate
The XLogP value of 3.1274 indicates that Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate. Following Lipinski's Rule of Five, Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]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 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate?
The CAS number of Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate is 23779-94-4.
What is the molecular formula of Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate?
The molecular formula of Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate is C15H16F3NO4.
What is the molecular weight of Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate?
The molecular weight of Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate is 331.10 g/mol.
Where can I buy Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate?
You can request a quote for Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate 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-(trifluoromethyl)anilino]methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.