![methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate structure](/static/products/863/863612-07-1.png)
methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
TL;DR: methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate (CAS 863612-07-1) is a chemical compound with molecular formula C21H19N3O6 and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
Also Known As: methyl 4-[3-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-amido]benzoate, F0696-0218, methyl 4-(3-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamido)benzoate, methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate, Methyl 4-[[1-(4-ethoxyphenyl)-2,6-dioxo-3H-pyrimidine-5-carbonyl]amino]benzoate
| Molecular Formula | C21H19N3O6 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 1.9634 |
| Topological Polar Surface Area | 119.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.12738 |
| Heavy Atoms | 30 |
| Complexity | 1177.1039 |
Chemical Identifiers
| CAS Number | 863612-07-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate (CAS 863612-07-1), with molecular formula C21H19N3O6 and molecular weight 409.13 g/mol. IUPAC: methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate.
Chemical Property Profile of methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
Property Insights of methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
The XLogP value of 1.9634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate. The TPSA of 119.49 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]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 methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate?
The CAS number of methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate is 863612-07-1.
What is the molecular formula of methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate?
The molecular formula of methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate is C21H19N3O6.
What is the molecular weight of methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate?
The molecular weight of methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate is 409.13 g/mol.
Where can I buy methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate?
You can request a quote for methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.