2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine
TL;DR: 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine (CAS 108734-89-0) is a chemical compound with molecular formula C22H23N3O3 and molecular weight 377.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5,6-bis(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate
Also Known As: 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine, 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-methylphenyl)-alpha-methyl-3-oxo-, ethyl ester, ethyl 2-[5,6-bis(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate, 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-methylphenyl)-alpha-methyl -3-oxo-, ethyl ester, 2-[5,6-bis(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoic acid ethyl ester
| Molecular Formula | C22H23N3O3 |
|---|---|
| Molecular Weight | 377.17 g/mol |
| LogP | 3.71324 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.17395 |
| Heavy Atoms | 28 |
| Complexity | 1038.1173 |
Chemical Identifiers
| CAS Number | 108734-89-0 |
|---|---|
| SMILES | CCOC(=O)C(C)N1C(=O)N=C(C(=N1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C |
Product Overview
2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine (CAS 108734-89-0), with molecular formula C22H23N3O3 and molecular weight 377.17 g/mol. IUPAC: ethyl 2-[5,6-bis(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate.
Chemical Property Profile of 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine
Property Insights of 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine
The XLogP value of 3.71324 indicates that 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine. Following Lipinski's Rule of Five, 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine 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 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine?
The CAS number of 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine is 108734-89-0.
What is the molecular formula of 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine?
The molecular formula of 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine is C22H23N3O3.
What is the molecular weight of 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine?
The molecular weight of 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine is 377.17 g/mol.
Where can I buy 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine?
You can request a quote for 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-methylphenyl)-as-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.