(3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
TL;DR: (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone (CAS 1212394-32-5) is a chemical compound with molecular formula C16H19N3O6 and molecular weight 349.12738 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3,5-dinitrophenyl)methanone
Also Known As: (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone, [(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3,5-dinitrophenyl)methanone
Technical Specifications
| Molecular Formula | C16H19N3O6 |
| Molecular Weight | 349.12738 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.12738 Da |
| Heavy Atoms | 25 |
| Complexity | 537.0 |
| SMILES | C1CC[C@@]2(CCN(C[C@@H]2C1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | CSZCQHDRBGWIBK-LRDDRELGSA-N |
Chemical Property Profile of (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
Property Insights of (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone. Following Lipinski's Rule of Five, (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
The CAS number of (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone is 1212394-32-5.
What is the molecular formula of (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone is C16H19N3O6.
What is the molecular weight of (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone is 349.12738 g/mol.
Where can I buy (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
Yes, CoreyChem provides custom synthesis services for (3,5-dinitrophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.