2-(Isoquinolin-1-yl)cyclohexanone
TL;DR: 2-(Isoquinolin-1-yl)cyclohexanone (CAS 3311-58-8) is a chemical compound with molecular formula C15H15NO and molecular weight 225.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isoquinolin-1-ylcyclohexan-1-one
Also Known As: 2-(isoquinolin-1-yl)cyclohexanone, 2-isoquinolin-1-ylcyclohexanone, 2-isoquinolylcyclohexan-1-one, 2-(1-isoquinolyl)cyclohexanone, 2-isoquinolin-1-ylcyclohexan-1-one
| Molecular Formula | C15H15NO |
|---|---|
| Molecular Weight | 225.12 g/mol |
| LogP | 3.4615 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.11537 |
| Heavy Atoms | 17 |
| Complexity | 556.3553 |
Chemical Identifiers
| CAS Number | 3311-58-8 |
|---|---|
| SMILES | C1CCC(=O)C(C1)C2=NC=CC3=CC=CC=C32 |
Product Overview
2-(Isoquinolin-1-yl)cyclohexanone (CAS 3311-58-8), with molecular formula C15H15NO and molecular weight 225.12 g/mol. IUPAC: 2-isoquinolin-1-ylcyclohexan-1-one.
Chemical Property Profile of 2-(Isoquinolin-1-yl)cyclohexanone
Property Insights of 2-(Isoquinolin-1-yl)cyclohexanone
The XLogP value of 3.4615 indicates that 2-(Isoquinolin-1-yl)cyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, 2-(Isoquinolin-1-yl)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isoquinolin-1-yl)cyclohexanone has 0 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 2-(Isoquinolin-1-yl)cyclohexanone?
The CAS number of 2-(Isoquinolin-1-yl)cyclohexanone is 3311-58-8.
What is the molecular formula of 2-(Isoquinolin-1-yl)cyclohexanone?
The molecular formula of 2-(Isoquinolin-1-yl)cyclohexanone is C15H15NO.
What is the molecular weight of 2-(Isoquinolin-1-yl)cyclohexanone?
The molecular weight of 2-(Isoquinolin-1-yl)cyclohexanone is 225.12 g/mol.
Where can I buy 2-(Isoquinolin-1-yl)cyclohexanone?
You can request a quote for 2-(Isoquinolin-1-yl)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isoquinolin-1-yl)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isoquinolin-1-yl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.