Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate
TL;DR: Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate (CAS 1024577-23-8) is a chemical compound with molecular formula C14H13N3O5 and molecular weight 303.0855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]benzoate
Also Known As: ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate, Ethyl 3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate, ethyl 3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]benzoate, ethyl 3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyleneamino]benzoate, ethyl 3-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Technical Specifications
| Molecular Formula | C14H13N3O5 |
| Molecular Weight | 303.0855 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.0855 Da |
| Heavy Atoms | 22 |
| Complexity | 541.0 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)N=CC2=C(NC(=O)NC2=O)O |
| InChIKey | NLMCYCZDRNDBPL-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate
Property Insights of Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate. Following Lipinski's Rule of Five, Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate?
The CAS number of Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate is 1024577-23-8.
What is the molecular formula of Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate?
The molecular formula of Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate is C14H13N3O5.
What is the molecular weight of Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate?
The molecular weight of Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate is 303.0855 g/mol.
Where can I buy Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate?
You can request a quote for Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-(((2,4,6-trioxo-3,5-diazaperhydroinylidene)methyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.