Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate
TL;DR: Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate (CAS 108734-86-7) is a chemical compound with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5,6-bis(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate
Also Known As: Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate, 2-(1-Methoxycarbonylethyl)-3-oxo-5,6-di(paramethoxyphenyl)-as-triazine, 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-, methyl ester, methyl 2-[5,6-bis(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate, Methyl 2-[5,6-bis(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]propanoate
| Molecular Formula | C21H21N3O5 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 2.7235 |
| Topological Polar Surface Area | 92.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.14813 |
| Heavy Atoms | 29 |
| Complexity | 1059.1698 |
Chemical Identifiers
| CAS Number | 108734-86-7 |
|---|---|
| SMILES | CC(C(=O)OC)N1C(=O)N=C(C(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC |
Product Overview
Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate (CAS 108734-86-7), with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol. IUPAC: methyl 2-[5,6-bis(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate.
Chemical Property Profile of Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate
Property Insights of Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate
The XLogP value of 2.7235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate. The TPSA of 92.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate. Following Lipinski's Rule of Five, Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate 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 Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate?
The CAS number of Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate is 108734-86-7.
What is the molecular formula of Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate?
The molecular formula of Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate is C21H21N3O5.
What is the molecular weight of Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate?
The molecular weight of Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate is 395.15 g/mol.
Where can I buy Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate?
You can request a quote for Methyl 5,6-bis(4-methoxyphenyl)-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 Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5,6-bis(4-methoxyphenyl)-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.