![ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate structure](/static/products/4449/444937-46-6.webp)
ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate
TL;DR: ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate (CAS 444937-46-6) is a chemical compound with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
Also Known As: ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate, ethyl 4-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoate, ethyl 4-[[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate, (Z)-ethyl 4-(((2,4,6-trioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate, ethyl 4-({(Z)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate
| Molecular Formula | C21H19N3O5 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 2.46712 |
| Topological Polar Surface Area | 113.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.13248 |
| Heavy Atoms | 29 |
| Complexity | 1172.9238 |
Chemical Identifiers
| CAS Number | 444937-46-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)C)O |
Product Overview
ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate (CAS 444937-46-6), with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol. IUPAC: ethyl 4-[[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate.
Chemical Property Profile of ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate
Property Insights of ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate
The XLogP value of 2.46712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-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)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-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)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate?
The CAS number of ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate is 444937-46-6.
What is the molecular formula of ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate?
The molecular formula of ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate is C21H19N3O5.
What is the molecular weight of ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate?
The molecular weight of ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate is 393.13 g/mol.
Where can I buy ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate?
You can request a quote for ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-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)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({(Z)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.