(E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate
TL;DR: (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate (CAS 843634-13-9) is a chemical compound with molecular formula C19H21N3O5 and molecular weight 371.15 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)propylideneamino]benzoate
Also Known As: (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate, ethyl 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)propylamino]benzoate, ethyl 4-({(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}amino)benzoate, ethyl 4-[[(1E)-1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)propyl]amino]benzoate
| Molecular Formula | C19H21N3O5 |
|---|---|
| Molecular Weight | 371.15 g/mol |
| LogP | 2.1357 |
| Topological Polar Surface Area | 113.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.14813 |
| Heavy Atoms | 27 |
| Complexity | 983.8852 |
Chemical Identifiers
| CAS Number | 843634-13-9 |
|---|---|
| SMILES | CCC(=NC1=CC=C(C=C1)C(=O)OCC)C2=C(N(C(=O)NC2=O)CC=C)O |
Product Overview
(E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate (CAS 843634-13-9), with molecular formula C19H21N3O5 and molecular weight 371.15 g/mol. IUPAC: ethyl 4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]benzoate.
Chemical Property Profile of (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate
Property Insights of (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate
The XLogP value of 2.1357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate. The TPSA of 113.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)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 (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate?
The CAS number of (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate is 843634-13-9.
What is the molecular formula of (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate?
The molecular formula of (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate is C19H21N3O5.
What is the molecular weight of (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate?
The molecular weight of (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate is 371.15 g/mol.
Where can I buy (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate?
You can request a quote for (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)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)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.