Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester
TL;DR: Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester (CAS 87540-59-8) is a chemical compound with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxy]butanoate
Also Known As: Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester, Ethyl 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)butanoate, ethyl 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxy]butanoate, Ethyl 4-{[3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxy}butanoate, RefChem:330824
| Molecular Formula | C22H22N4O4 |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 3.6752 |
| Topological Polar Surface Area | 87.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.1641 |
| Heavy Atoms | 30 |
| Complexity | 1171.167 |
Chemical Identifiers
| CAS Number | 87540-59-8 |
|---|---|
| SMILES | CCOC(=O)CCCOC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC |
Product Overview
Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester (CAS 87540-59-8), with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol. IUPAC: ethyl 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxy]butanoate.
Chemical Property Profile of Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester
Property Insights of Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester
The XLogP value of 3.6752 indicates that Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester. Following Lipinski's Rule of Five, Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, 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 Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester?
The CAS number of Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester is 87540-59-8.
What is the molecular formula of Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester?
The molecular formula of Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester is C22H22N4O4.
What is the molecular weight of Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester?
The molecular weight of Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester is 406.16 g/mol.
Where can I buy Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester?
You can request a quote for Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.