(4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
TL;DR: (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone (CAS 1212191-67-7) is a chemical compound with molecular formula C16H20BrNO2 and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-bromophenyl)methanone
Also Known As: (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone, [(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-bromophenyl)methanone
| Molecular Formula | C16H20BrNO2 |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 3.2163 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 337.06775 |
| Heavy Atoms | 20 |
| Complexity | 501.70328 |
Chemical Identifiers
| CAS Number | 1212191-67-7 |
|---|---|
| SMILES | C1CC[C@@]2(CCN(C[C@@H]2C1)C(=O)C3=CC=C(C=C3)Br)O |
Product Overview
(4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone (CAS 1212191-67-7), with molecular formula C16H20BrNO2 and molecular weight 337.07 g/mol. IUPAC: [(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-bromophenyl)methanone.
Chemical Property Profile of (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
Property Insights of (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 3.2163 indicates that (4-bromophenyl)((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 40.54 Ų, (4-bromophenyl)((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-bromophenyl)((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
Frequently Asked Questions
What is the CAS number of (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
The CAS number of (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone is 1212191-67-7.
What is the molecular formula of (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone is C16H20BrNO2.
What is the molecular weight of (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone is 337.07 g/mol.
Where can I buy (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-bromophenyl)((4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.