N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide
TL;DR: N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide (CAS 1008695-63-3) is a chemical compound with molecular formula C24H29FN2O2 and molecular weight 396.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide
Also Known As: N-benzyl-2-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide, N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide, N-benzyl-2-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide
| Molecular Formula | C24H29FN2O2 |
|---|---|
| Molecular Weight | 396.22 g/mol |
| LogP | 3.8102 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.2213 |
| Heavy Atoms | 29 |
| Complexity | 826.5341 |
Chemical Identifiers
| CAS Number | 1008695-63-3 |
|---|---|
| SMILES | C1CCC2(CCN(C(C2C1)C3=CC=C(C=C3)F)CC(=O)NCC4=CC=CC=C4)O |
Product Overview
N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide (CAS 1008695-63-3), with molecular formula C24H29FN2O2 and molecular weight 396.22 g/mol. IUPAC: N-benzyl-2-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide.
Chemical Property Profile of N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide
Property Insights of N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide
The XLogP value of 3.8102 indicates that N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.57 Ų, N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide has 2 hydrogen bond donor(s) and 3 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-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide?
The CAS number of N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide is 1008695-63-3.
What is the molecular formula of N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide?
The molecular formula of N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide is C24H29FN2O2.
What is the molecular weight of N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide?
The molecular weight of N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide is 396.22 g/mol.
Where can I buy N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide?
You can request a quote for N-benzyl-2-(1-(4-fluorophenyl)-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-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.