![2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide structure](/static/products/100/1005085-99-3.png)
2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide
TL;DR: 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide (CAS 1005085-99-3) is a chemical compound with molecular formula C27H36N2O4 and molecular weight 452.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide
Also Known As: 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide, 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-(3,5-dimethylphenyl)acetamide
| Molecular Formula | C27H36N2O4 |
|---|---|
| Molecular Weight | 452.27 g/mol |
| LogP | 4.62744 |
| Topological Polar Surface Area | 71.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.26752 |
| Heavy Atoms | 33 |
| Complexity | 987.361 |
Chemical Identifiers
| CAS Number | 1005085-99-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CN2CCC3(CCCCC3C2C4=C(C=C(C=C4)OC)OC)O)C |
Product Overview
2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide (CAS 1005085-99-3), with molecular formula C27H36N2O4 and molecular weight 452.27 g/mol. IUPAC: 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide.
Chemical Property Profile of 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide
Property Insights of 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide
The XLogP value of 4.62744 indicates that 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)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-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide?
The CAS number of 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide is 1005085-99-3.
What is the molecular formula of 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide?
The molecular formula of 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide is C27H36N2O4.
What is the molecular weight of 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide?
The molecular weight of 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide is 452.27 g/mol.
Where can I buy 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide?
You can request a quote for 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(3,5-dimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.