1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester
TL;DR: 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester (CAS 108734-90-3) is a chemical compound with molecular formula C20H17Cl2N3O3 and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5,6-bis(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate
Also Known As: 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester, 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(p-chlorophenyl)-as-triazine, ethyl 2-[5,6-bis(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate, Ethyl 2-[5,6-bis(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]propanoate, RefChem:215042
| Molecular Formula | C20H17Cl2N3O3 |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 4.4032 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.0647 |
| Heavy Atoms | 28 |
| Complexity | 1047.7863 |
Chemical Identifiers
| CAS Number | 108734-90-3 |
|---|---|
| SMILES | CCOC(=O)C(C)N1C(=O)N=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl |
Product Overview
1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester (CAS 108734-90-3), with molecular formula C20H17Cl2N3O3 and molecular weight 417.06 g/mol. IUPAC: ethyl 2-[5,6-bis(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate.
Chemical Property Profile of 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester
Property Insights of 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester
The XLogP value of 4.4032 indicates that 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester 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 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester. Following Lipinski's Rule of Five, 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester 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 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester?
The CAS number of 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester is 108734-90-3.
What is the molecular formula of 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester?
The molecular formula of 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester is C20H17Cl2N3O3.
What is the molecular weight of 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester?
The molecular weight of 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester is 417.06 g/mol.
Where can I buy 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester?
You can request a quote for 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-chlorophenyl)-alpha-methyl-3-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.