3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester
TL;DR: 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester (CAS 84423-98-3) is a chemical compound with molecular formula C27H28N6O3 and molecular weight 484.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]ethyl pyridine-3-carboxylate
Also Known As: 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester, Oxo-3 nicotinoyloxyethyl-2 di(paradimethylaminophenyl)-5,6 as triazine [French], Oxo-3 nicotinoyloxyethyl-2 di(paradimethylaminophenyl)-5,6 as triazine, 2-[5,6-bis(4-dimethylaminophenyl)-3-oxo-1,2,4-triazin-2-yl]ethyl pyridine-3-carboxylate, 2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]ethyl pyridine-3-carboxylate
| Molecular Formula | C27H28N6O3 |
|---|---|
| Molecular Weight | 484.22 g/mol |
| LogP | 3.3563 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.2223 |
| Heavy Atoms | 36 |
| Complexity | 1382.1953 |
Chemical Identifiers
| CAS Number | 84423-98-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)N(C)C)CCOC(=O)C4=CN=CC=C4 |
Product Overview
3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester (CAS 84423-98-3), with molecular formula C27H28N6O3 and molecular weight 484.22 g/mol. IUPAC: 2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]ethyl pyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester
Property Insights of 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester
The XLogP value of 3.3563 indicates that 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester has 0 hydrogen bond donor(s) and 8 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 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester is 84423-98-3.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester is C27H28N6O3.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester is 484.22 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2-(5,6-bis(4-(dimethylamino)phenyl)-3-oxo-1,2,4-triazin-2(3H)-yl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.