2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide
TL;DR: 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide (CAS 1024381-70-1) is a chemical compound with molecular formula C25H31N3O6 and molecular weight 469.22128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(2,5-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(4-nitrophenyl)acetamide
Also Known As: 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide, 2-[1-(2,5-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(4-nitrophenyl)acetamide, 2-[1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-(4-nitrophenyl)acetamide
Technical Specifications
| Molecular Formula | C25H31N3O6 |
| Molecular Weight | 469.22128 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.22128 Da |
| Heavy Atoms | 34 |
| Complexity | 709.0 |
| SMILES | COC1=CC(=C(C=C1)OC)C2C3CCCCC3(CCN2CC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])O |
| InChIKey | ZKGVBAGUWKRXME-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide
Property Insights of 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide
The XLogP value of 3.4 indicates that 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide?
The CAS number of 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide is 1024381-70-1.
What is the molecular formula of 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide?
The molecular formula of 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide is C25H31N3O6.
What is the molecular weight of 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide?
The molecular weight of 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide is 469.22128 g/mol.
Where can I buy 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide?
You can request a quote for 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.