(E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate
TL;DR: (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate (CAS 313954-03-9) is a chemical compound with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate
Also Known As: (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate, ethyl 4-[(5E)-5-[(4-dimethylaminophenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate, ethyl 4-[(5E)-5-[4-(dimethylamino)benzylidene]-2-hydroxy-4,6-dioxo-5,6-dihydropyrimidin-1(4H)-yl]benzoate, ETHYL 4-[(5E)-5-{[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-2,4,6-TRIOXO-1,3-DIAZINAN-1-YL]BENZOATE, ethyl 4-[5-[4-(dimethylamino)benzylidene]-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate
| Molecular Formula | C22H21N3O5 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 2.5957 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.14813 |
| Heavy Atoms | 30 |
| Complexity | 1023.74347 |
Chemical Identifiers
| CAS Number | 313954-03-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/C(=O)NC2=O |
Product Overview
(E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate (CAS 313954-03-9), with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol. IUPAC: ethyl 4-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate.
Chemical Property Profile of (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate
Property Insights of (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate
The XLogP value of 2.5957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate 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 (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate?
The CAS number of (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate is 313954-03-9.
What is the molecular formula of (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate?
The molecular formula of (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate is C22H21N3O5.
What is the molecular weight of (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate?
The molecular weight of (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate is 407.15 g/mol.
Where can I buy (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate?
You can request a quote for (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(5-(4-(dimethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.