Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate
TL;DR: Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate (CAS 108734-79-8) is a chemical compound with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5,6-bis(4-hydroxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate
Also Known As: Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate, 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(parahydroxyphenyl)-as-triazine, 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-, ethyl ester, Ethyl 2-[3-hydroxy-5,6-bis(4-oxocyclohexa-2,5-dien-1-ylidene)-5,6-dihydro-1,2,4-triazin-2(1H)-yl]propanoate, ethyl 2-[3-oxo-5,6-bis(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-triazinan-2-yl]propanoate
| Molecular Formula | C20H19N3O5 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 2.5076 |
| Topological Polar Surface Area | 114.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.13248 |
| Heavy Atoms | 28 |
| Complexity | 1042.9315 |
Chemical Identifiers
| CAS Number | 108734-79-8 |
|---|---|
| SMILES | CCOC(=O)C(C)N1C(=O)N=C(C(=N1)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O |
Product Overview
Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate (CAS 108734-79-8), with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol. IUPAC: ethyl 2-[5,6-bis(4-hydroxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate.
Chemical Property Profile of Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate
Property Insights of Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate
The XLogP value of 2.5076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate. The TPSA of 114.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate. Following Lipinski's Rule of Five, Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate has 2 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 Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate?
The CAS number of Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate is 108734-79-8.
What is the molecular formula of Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate?
The molecular formula of Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate is C20H19N3O5.
What is the molecular weight of Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate?
The molecular weight of Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate is 381.13 g/mol.
Where can I buy Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate?
You can request a quote for Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate 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-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.