1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester
TL;DR: 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester (CAS 108734-91-4) is a chemical compound with molecular formula C21H20ClN3O4 and molecular weight 413.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate
Also Known As: 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester, Ethyl 2-[5-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate, Ethyl 2-[5-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]propanoate, RefChem:215049
| Molecular Formula | C21H20ClN3O4 |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 3.7584 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.11423 |
| Heavy Atoms | 29 |
| Complexity | 1062.7794 |
Chemical Identifiers
| CAS Number | 108734-91-4 |
|---|---|
| SMILES | CCOC(=O)C(C)N1C(=O)N=C(C(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl |
Product Overview
1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester (CAS 108734-91-4), with molecular formula C21H20ClN3O4 and molecular weight 413.11 g/mol. IUPAC: ethyl 2-[5-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate.
Chemical Property Profile of 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester
Property Insights of 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester
The XLogP value of 3.7584 indicates that 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester. Following Lipinski's Rule of Five, 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester has 0 hydrogen bond donor(s) and 6 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-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester?
The CAS number of 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester is 108734-91-4.
What is the molecular formula of 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester?
The molecular formula of 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester is C21H20ClN3O4.
What is the molecular weight of 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester?
The molecular weight of 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester is 413.11 g/mol.
Where can I buy 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester?
You can request a quote for 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-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-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazine-2(3H)-acetic acid, 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-alpha-methyl-3-oxo-,ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.