Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate
TL;DR: Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate (CAS 26154-45-0) is a chemical compound with molecular formula C10H15N3O5 and molecular weight 257.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-methyl-3-oxo-2,4-dihydro-1,2,4-triazine-1,6-dicarboxylate
Also Known As: Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate, diethyl 5-methyl-3-oxo-2,4-dihydro-1,2,4-triazine-1,6-dicarboxylate, 3,2,4-TRIAZINE-1,6(2H)-DICARBOXYLIC ACID, DIETHYL ESTER, diethyl 5-methyl-3-oxo-2,4-dihydro-1,2,4-triazine-1,6-dicarb, ethyl (Z)-3-amino-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]but-2-enoate
| Molecular Formula | C10H15N3O5 |
|---|---|
| Molecular Weight | 257.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.10117 |
| Heavy Atoms | 18 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 26154-45-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NN1C(=O)OCC)C |
| InChIKey | IRUJNMMLVZSNGL-UHFFFAOYSA-N |
Product Overview
Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate (CAS 26154-45-0), with molecular formula C10H15N3O5 and molecular weight 257.10 g/mol. IUPAC: diethyl 5-methyl-3-oxo-2,4-dihydro-1,2,4-triazine-1,6-dicarboxylate.
Chemical Property Profile of Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate
Property Insights of Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate has 2 hydrogen bond donor(s) and 5 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 Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate?
The CAS number of Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate is 26154-45-0.
What is the molecular formula of Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate?
The molecular formula of Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate is C10H15N3O5.
What is the molecular weight of Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate?
The molecular weight of Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate is 257.10 g/mol.
Where can I buy Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate?
You can request a quote for Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-methyl-3-oxo-3,4-dihydro-1,2,4-triazine-1,6(2H)-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.