![1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate structure](/static/products/935/93514-79-5.png)
1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate
TL;DR: 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate (CAS 93514-79-5) is a chemical compound with molecular formula C16H15F6NO4 and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[3,5-bis(trifluoromethyl)anilino]methylidene]propanedioate
Also Known As: 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate, Diethyl {[3,5-bis(trifluoromethyl)anilino]methylidene}propanedioate, diethyl 2-[[3,5-bis(trifluoromethyl)anilino]methylidene]propanedioate
| Molecular Formula | C16H15F6NO4 |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 4.1462 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.0905 |
| Heavy Atoms | 27 |
| Complexity | 672.3512 |
Chemical Identifiers
| CAS Number | 93514-79-5 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)OCC |
Product Overview
1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate (CAS 93514-79-5), with molecular formula C16H15F6NO4 and molecular weight 399.09 g/mol. IUPAC: diethyl 2-[[3,5-bis(trifluoromethyl)anilino]methylidene]propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate
Property Insights of 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate
The XLogP value of 4.1462 indicates that 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]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 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]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 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate?
The CAS number of 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate is 93514-79-5.
What is the molecular formula of 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate?
The molecular formula of 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate is C16H15F6NO4.
What is the molecular weight of 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate?
The molecular weight of 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate is 399.09 g/mol.
Where can I buy 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate?
You can request a quote for 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)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-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.