![ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate structure](/static/products/116/1164541-50-7.png)
ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate
TL;DR: ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate (CAS 1164541-50-7) is a chemical compound with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzoate
Also Known As: ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate, (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoate, ethyl 4-({(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)benzoate, ethyl 4-[[(1E)-1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethyl]amino]benzoate
| Molecular Formula | C18H19N3O5 |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 1.7456 |
| Topological Polar Surface Area | 113.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.13248 |
| Heavy Atoms | 26 |
| Complexity | 967.8016 |
Chemical Identifiers
| CAS Number | 1164541-50-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C(C)C2=C(N(C(=O)NC2=O)CC=C)O |
Product Overview
ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate (CAS 1164541-50-7), with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol. IUPAC: ethyl 4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzoate.
Chemical Property Profile of ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate
Property Insights of ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate
The XLogP value of 1.7456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate. The TPSA of 113.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]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-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate?
The CAS number of ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate is 1164541-50-7.
What is the molecular formula of ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate?
The molecular formula of ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate is C18H19N3O5.
What is the molecular weight of ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate?
The molecular weight of ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate is 357.13 g/mol.
Where can I buy ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate?
You can request a quote for ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]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-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.