Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate
TL;DR: Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate (CAS 24108-45-0) is a chemical compound with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate
Also Known As: diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate, 5,6-Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate
| Molecular Formula | C15H15N3O4 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 1.892 |
| Topological Polar Surface Area | 91.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.10626 |
| Heavy Atoms | 22 |
| Complexity | 673.74274 |
Chemical Identifiers
| CAS Number | 24108-45-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=NC(=N1)C2=CC=CC=C2)C(=O)OCC |
Product Overview
Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate (CAS 24108-45-0), with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol. IUPAC: diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate.
Chemical Property Profile of Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate
Property Insights of Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate
The XLogP value of 1.892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate. The TPSA of 91.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate has 0 hydrogen bond donor(s) and 7 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 3-phenyl-1,2,4-triazine-5,6-dicarboxylate?
The CAS number of Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate is 24108-45-0.
What is the molecular formula of Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate?
The molecular formula of Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate is C15H15N3O4.
What is the molecular weight of Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate?
The molecular weight of Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate is 301.11 g/mol.
Where can I buy Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate?
You can request a quote for Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-phenyl-1,2,4-triazine-5,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.