![1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate structure](/static/products/4971/49713-41-9.webp)
1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate
TL;DR: 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate (CAS 49713-41-9) is a chemical compound with molecular formula C15H16F3NO5 and molecular weight 347.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[2-(trifluoromethoxy)anilino]methylidene]propanedioate
Also Known As: Diethyl 2-(trifluoromethoxy)phenylamino-N-methylenemalonate, Diethyl 2-(trifluoromethoxy)phenylamino-N-methylene malonate, diethyl 2-[[2-(trifluoromethoxy)anilino]methylidene]propanedioate, DIETHYL2- PHENYLAMINO-N-METHYLENEMALONATE, Diethyl 2-(((2-(trifluoromethoxy)phenyl)amino)methylene)malonate
| Molecular Formula | C15H16F3NO5 |
|---|---|
| Molecular Weight | 347.10 g/mol |
| LogP | 3.0072 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.09805 |
| Heavy Atoms | 24 |
| Complexity | 593.37225 |
Chemical Identifiers
| CAS Number | 49713-41-9 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC=C1OC(F)(F)F)C(=O)OCC |
Product Overview
1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate (CAS 49713-41-9), with molecular formula C15H16F3NO5 and molecular weight 347.10 g/mol. IUPAC: diethyl 2-[[2-(trifluoromethoxy)anilino]methylidene]propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate
Property Insights of 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate
The XLogP value of 3.0072 indicates that 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate has 1 hydrogen bond donor(s) and 6 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 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate?
The CAS number of 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate is 49713-41-9.
What is the molecular formula of 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate?
The molecular formula of 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate is C15H16F3NO5.
What is the molecular weight of 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate?
The molecular weight of 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate is 347.10 g/mol.
Where can I buy 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate?
You can request a quote for 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.