![N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide structure](/static/products/1022/1022546-08-2.webp)
N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide
TL;DR: N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide (CAS 1022546-08-2) is a chemical compound with molecular formula C25H31ClN2O4 and molecular weight 458.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide
Also Known As: N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide, N-(4-chlorophenyl)-2-(1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide, N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide
| Molecular Formula | C25H31ClN2O4 |
|---|---|
| Molecular Weight | 458.20 g/mol |
| LogP | 4.664 |
| Topological Polar Surface Area | 71.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.19724 |
| Heavy Atoms | 32 |
| Complexity | 951.4581 |
Chemical Identifiers
| CAS Number | 1022546-08-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3CCCCC3(CCN2CC(=O)NC4=CC=C(C=C4)Cl)O)OC |
Product Overview
N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide (CAS 1022546-08-2), with molecular formula C25H31ClN2O4 and molecular weight 458.20 g/mol. IUPAC: N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide.
Chemical Property Profile of N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide
Property Insights of N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide
The XLogP value of 4.664 indicates that N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]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 N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-2-[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 N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide?
The CAS number of N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide is 1022546-08-2.
What is the molecular formula of N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide?
The molecular formula of N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide is C25H31ClN2O4.
What is the molecular weight of N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide?
The molecular weight of N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide is 458.20 g/mol.
Where can I buy N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide?
You can request a quote for N-(4-chlorophenyl)-2-[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 N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.