![Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate structure](/static/products/2072/207231-22-9.webp)
Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate
TL;DR: Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate (CAS 207231-22-9) 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-[[4-(trifluoromethoxy)anilino]methylidene]propanedioate
Also Known As: Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate, Diethyl 2-([4-(trifluoromethoxy)anilino]methylene)malonate, Diethyl 2-([4-(trifluoromethoxy)anilino]methylene)malonate #, Diethyl 2-(((4-(trifluoromethoxy)phenyl)amino)methylene)malonate, diethyl 2-[[4-(trifluoromethoxy)anilino]methylidene]propanedioate
| Molecular Formula | C15H16F3NO5 |
|---|---|
| Molecular Weight | 347.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 347.09805 |
| Heavy Atoms | 24 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 207231-22-9 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=C(C=C1)OC(F)(F)F)C(=O)OCC |
| InChIKey | ZENIWNYYOVXLDR-UHFFFAOYSA-N |
Product Overview
Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate (CAS 207231-22-9), with molecular formula C15H16F3NO5 and molecular weight 347.10 g/mol. IUPAC: diethyl 2-[[4-(trifluoromethoxy)anilino]methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate
Property Insights of Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate
The XLogP value of 4.4 indicates that Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate. Following Lipinski's Rule of Five, Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate has 1 hydrogen bond donor(s) and 9 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-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate?
The CAS number of Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate is 207231-22-9.
What is the molecular formula of Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate?
The molecular formula of Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate is C15H16F3NO5.
What is the molecular weight of Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate?
The molecular weight of Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate is 347.10 g/mol.
Where can I buy Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate?
You can request a quote for Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[[[4-(Trifluoromethoxy)phenyl]amino]methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.