Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate
TL;DR: Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate (CAS 35883-52-4) is a chemical compound with molecular formula C18H15N3O2 and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate
Also Known As: ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate, J1.913.101G, AD-233/30032026, 5,6-Diphenyl-1,2,4-triazine-3-carboxylic acid ethyl ester, 1,2,4-Triazine-3-carboxylic acid, 5,6-diphenyl-, ethyl ester
| Molecular Formula | C18H15N3O2 |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.11642 |
| Heavy Atoms | 23 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 35883-52-4 |
|---|---|
| SMILES | CCOC(=O)C1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | HWTIHECXBTUCGU-UHFFFAOYSA-N |
Product Overview
Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate (CAS 35883-52-4), with molecular formula C18H15N3O2 and molecular weight 305.12 g/mol. IUPAC: ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate.
Chemical Property Profile of Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate
Property Insights of Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate
The XLogP value of 3.1 indicates that Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate has 0 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 Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate?
The CAS number of Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate is 35883-52-4.
What is the molecular formula of Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate?
The molecular formula of Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate is C18H15N3O2.
What is the molecular weight of Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate?
The molecular weight of Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate is 305.12 g/mol.
Where can I buy Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate?
You can request a quote for Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5,6-diphenyl-1,2,4-triazine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.