3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine
TL;DR: 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine (CAS 304435-56-1) is a chemical compound with molecular formula C13H15N5 and molecular weight 241.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-N-(1,2,4-triazol-4-yl)-4H-isoquinolin-1-amine
Also Known As: BIM-0022227.P001, 3,3-dimethyl-N-(1,2,4-triazol-4-yl)-4H-isoquinolin-1-amine, 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine
| Molecular Formula | C13H15N5 |
|---|---|
| Molecular Weight | 241.13 g/mol |
| LogP | 1.6031 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.13275 |
| Heavy Atoms | 18 |
| Complexity | 583.1889 |
Chemical Identifiers
| CAS Number | 304435-56-1 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=N1)NN3C=NN=C3)C |
Product Overview
3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine (CAS 304435-56-1), with molecular formula C13H15N5 and molecular weight 241.13 g/mol. IUPAC: 3,3-dimethyl-N-(1,2,4-triazol-4-yl)-4H-isoquinolin-1-amine.
Chemical Property Profile of 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine
Property Insights of 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine
The XLogP value of 1.6031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine. With a topological polar surface area (TPSA) of 55.1 Ų, 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine has 1 hydrogen bond donor(s) and 4 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 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine?
The CAS number of 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine is 304435-56-1.
What is the molecular formula of 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine?
The molecular formula of 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine is C13H15N5.
What is the molecular weight of 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine?
The molecular weight of 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine is 241.13 g/mol.
Where can I buy 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine?
You can request a quote for 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-N-(4H-1,2,4-triazol-4-yl)-3,4-dihydroisoquinolin-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.