(E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
TL;DR: (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate (CAS 381191-02-2) is a chemical compound with molecular formula C25H25F3N4O5 and molecular weight 518.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methylideneamino]benzoate
Also Known As: (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate, 2-diethylaminoethyl 4-[[(E)-[2,4,6-trioxo-1-[3-(trifluoromethyl)phenyl]-1,3-diazinan-5-ylidene]methyl]amino]benzoate, 2-diethylaminoethyl 4-[[2,4,6-trioxo-1-[3-(trifluoromethyl)phenyl]-1,3-diazinan-5-ylidene]methylamino]benzoate
| Molecular Formula | C25H25F3N4O5 |
|---|---|
| Molecular Weight | 518.18 g/mol |
| LogP | 3.4994 |
| Topological Polar Surface Area | 116.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.17773 |
| Heavy Atoms | 37 |
| Complexity | 1391.1617 |
Chemical Identifiers
| CAS Number | 381191-02-2 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=CC2=C(N(C(=O)NC2=O)C3=CC=CC(=C3)C(F)(F)F)O |
Product Overview
(E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate (CAS 381191-02-2), with molecular formula C25H25F3N4O5 and molecular weight 518.18 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methylideneamino]benzoate.
Chemical Property Profile of (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
Property Insights of (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
The XLogP value of 3.4994 indicates that (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate. Following Lipinski's Rule of Five, (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The CAS number of (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is 381191-02-2.
What is the molecular formula of (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The molecular formula of (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is C25H25F3N4O5.
What is the molecular weight of (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The molecular weight of (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is 518.18 g/mol.
Where can I buy (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
You can request a quote for (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(diethylamino)ethyl 4-(((2,4,6-trioxo-1-(3-(trifluoromethyl)phenyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.