![Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate structure](/static/products/5444/54449-89-7.webp)
Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate
TL;DR: Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate (CAS 54449-89-7) is a chemical compound with molecular formula C9H9N3O4 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dioxo-1H-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylate
Also Known As: Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate, a][1,3,5]triazine-7-carboxylate, Ethyl 2,4-dioxo-1H,2H,3H,4H-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylate, ethyl 2,4-dioxo-1H,2H,3H,4H-pyrrolo[1,2-, ethyl 2,4-dioxo-1H-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylate
| Molecular Formula | C9H9N3O4 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.05931 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 54449-89-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN2C(=C1)NC(=O)NC2=O |
| InChIKey | CJYAUHVRYDQIHG-UHFFFAOYSA-N |
Product Overview
Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate (CAS 54449-89-7), with molecular formula C9H9N3O4 and molecular weight 223.06 g/mol. IUPAC: ethyl 2,4-dioxo-1H-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylate.
Chemical Property Profile of Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate
Property Insights of Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate. Following Lipinski's Rule of Five, Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate has 2 hydrogen bond donor(s) and 4 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 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate?
The CAS number of Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate is 54449-89-7.
What is the molecular formula of Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate?
The molecular formula of Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate is C9H9N3O4.
What is the molecular weight of Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate?
The molecular weight of Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate is 223.06 g/mol.
Where can I buy Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate?
You can request a quote for Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-pyrrolo-[1,2-a]-1,3,5-triazine-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.