![3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline structure](/static/products/3025/302553-49-7.webp)
3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline
TL;DR: 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline (CAS 302553-49-7) is a chemical compound with molecular formula C18H18N4 and molecular weight 290.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline
Also Known As: BAS 00329320, BIM-0028088.P001, 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline, 3-(5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)phenylamine, 3-(5,5-Dimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)-phenylamine
| Molecular Formula | C18H18N4 |
|---|---|
| Molecular Weight | 290.15 g/mol |
| LogP | 3.4855 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.15314 |
| Heavy Atoms | 22 |
| Complexity | 861.0286 |
Chemical Identifiers
| CAS Number | 302553-49-7 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC(=CC=C4)N)C |
Product Overview
3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline (CAS 302553-49-7), with molecular formula C18H18N4 and molecular weight 290.15 g/mol. IUPAC: 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline.
Chemical Property Profile of 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline
Property Insights of 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline
The XLogP value of 3.4855 indicates that 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline has 1 hydrogen bond donor(s) and 3 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 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline?
The CAS number of 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline is 302553-49-7.
What is the molecular formula of 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline?
The molecular formula of 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline is C18H18N4.
What is the molecular weight of 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline?
The molecular weight of 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline is 290.15 g/mol.
Where can I buy 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline?
You can request a quote for 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.