N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid
TL;DR: N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid (CAS 41958-62-7) is a chemical compound with molecular formula C19H22N2O and molecular weight 294.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3S)-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-yl]acetamide
Also Known As: 5-22-10-00552 (Beilstein Handbook Reference), trans-6-Acetamido-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline, Isoquinoline, 6-acetamido-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydro-, (E)-, N-(trans-1,2,3,4-Tetrahydro-2,3-dimethyl-4-phenyl-6-isoquinolinyl)acetamide, TIQ
| Molecular Formula | C19H22N2O |
|---|---|
| Molecular Weight | 294.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.17322 |
| Heavy Atoms | 22 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 41958-62-7 |
|---|---|
| SMILES | C[C@H]1C(C2=C(CN1C)C=CC(=C2)NC(=O)C)C3=CC=CC=C3 |
| InChIKey | UJPROHUFLRCNBI-YTJLLHSVSA-N |
Product Overview
N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid (CAS 41958-62-7), with molecular formula C19H22N2O and molecular weight 294.17 g/mol. IUPAC: N-[(3S)-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-yl]acetamide.
Chemical Property Profile of N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid
Property Insights of N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid. With a topological polar surface area (TPSA) of 32.3 Ų, N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid has 1 hydrogen bond donor(s) and 2 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 N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid?
The CAS number of N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid is 41958-62-7.
What is the molecular formula of N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid?
The molecular formula of N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid is C19H22N2O.
What is the molecular weight of N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid?
The molecular weight of N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid is 294.17 g/mol.
Where can I buy N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid?
You can request a quote for N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.