![ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate structure](/static/products/6906/690674-61-4.webp)
ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate
TL;DR: ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate (CAS 690674-61-4) is a chemical compound with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(1-ethyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]benzoate
Also Known As: ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate, ethyl 4-[(1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate, Ethyl 4-[[(1-ethyltetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzoate, ethyl 4-[[(Z)-(1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoate, Ethyl 4-{[(1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 1.1894 |
| Topological Polar Surface Area | 113.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 878.0664 |
Chemical Identifiers
| CAS Number | 690674-61-4 |
|---|---|
| SMILES | CCN1C(=C(C(=O)NC1=O)C=NC2=CC=C(C=C2)C(=O)OCC)O |
Product Overview
ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate (CAS 690674-61-4), with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol. IUPAC: ethyl 4-[(1-ethyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]benzoate.
Chemical Property Profile of ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate
Property Insights of ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate
The XLogP value of 1.1894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate. The TPSA of 113.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate has 2 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 ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate?
The CAS number of ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate is 690674-61-4.
What is the molecular formula of ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate?
The molecular formula of ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate is C16H17N3O5.
What is the molecular weight of ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate?
The molecular weight of ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate is 331.12 g/mol.
Where can I buy ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate?
You can request a quote for ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-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 ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.