![2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide structure](/static/products/956/956351-90-9.png)
2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide
TL;DR: 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide (CAS 956351-90-9) is a chemical compound with molecular formula C19H28N2O4 and molecular weight 348.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide
Also Known As: 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide, 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide, 2-[1-(3,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide
| Molecular Formula | C19H28N2O4 |
|---|---|
| Molecular Weight | 348.20 g/mol |
| LogP | 1.8572 |
| Topological Polar Surface Area | 85.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.2049 |
| Heavy Atoms | 25 |
| Complexity | 635.85016 |
Chemical Identifiers
| CAS Number | 956351-90-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[C@H]2[C@@H]3CCCC[C@@]3(CCN2CC(=O)N)O)OC |
Product Overview
2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide (CAS 956351-90-9), with molecular formula C19H28N2O4 and molecular weight 348.20 g/mol. IUPAC: 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide.
Chemical Property Profile of 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide
Property Insights of 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide
The XLogP value of 1.8572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide. The TPSA of 85.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide. Following Lipinski's Rule of Five, 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide has 2 hydrogen bond donor(s) and 5 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 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide?
The CAS number of 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide is 956351-90-9.
What is the molecular formula of 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide?
The molecular formula of 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide is C19H28N2O4.
What is the molecular weight of 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide?
The molecular weight of 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide is 348.20 g/mol.
Where can I buy 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide?
You can request a quote for 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.