![4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester structure](/static/products/898/898916-99-9.png)
4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester
TL;DR: 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester (CAS 898916-99-9) is a chemical compound with molecular formula C24H26N6O4S and molecular weight 494.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester, ethyl 4-((2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl)sulfonyl)piperazine-1-carboxylate, ethyl 4-{[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]sulfonyl}piperazine-1-carboxylate
| Molecular Formula | C24H26N6O4S |
|---|---|
| Molecular Weight | 494.17 g/mol |
| LogP | 3.02414 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.1736 |
| Heavy Atoms | 35 |
| Complexity | 1540.7043 |
Chemical Identifiers
| CAS Number | 898916-99-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NN4C(=NN=C4C5=CC=CC=C53)C)C |
Product Overview
4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester (CAS 898916-99-9), with molecular formula C24H26N6O4S and molecular weight 494.17 g/mol. IUPAC: ethyl 4-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester
Property Insights of 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester
The XLogP value of 3.02414 indicates that 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester 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 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester?
The CAS number of 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester is 898916-99-9.
What is the molecular formula of 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester?
The molecular formula of 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester is C24H26N6O4S.
What is the molecular weight of 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester?
The molecular weight of 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester is 494.17 g/mol.
Where can I buy 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester?
You can request a quote for 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.