(4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
TL;DR: (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone (CAS 1212329-11-7) is a chemical compound with molecular formula C16H20ClNO2 and molecular weight 293.11826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-chlorophenyl)methanone
Also Known As: (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone, [(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-chlorophenyl)methanone
Technical Specifications
| Molecular Formula | C16H20ClNO2 |
| Molecular Weight | 293.11826 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.11826 Da |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
| SMILES | C1CC[C@@]2(CCN(C[C@@H]2C1)C(=O)C3=CC=C(C=C3)Cl)O |
| InChIKey | QEHYNALQTNQRLM-BBRMVZONSA-N |
Chemical Property Profile of (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
Property Insights of (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 3.0 indicates that (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
The CAS number of (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone is 1212329-11-7.
What is the molecular formula of (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone is C16H20ClNO2.
What is the molecular weight of (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone is 293.11826 g/mol.
Where can I buy (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
Yes, CoreyChem provides custom synthesis services for (4-chlorophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.