Octahydro-2(1H)-quinolinone
TL;DR: Octahydro-2(1H)-quinolinone (CAS 54802-19-6) is a chemical compound with molecular formula C9H15NO and molecular weight 153.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
Also Known As: decahydroquinolin-2-one, octahydroquinolin-2(1h)-one, Octahydro-2(1H)-quinolinone, decahydroquinolone, cis-Perhydro-2-chinolon
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 54802-19-6 |
|---|---|
| SMILES | C1CCC2C(C1)CCC(=O)N2 |
| InChIKey | OBSYXAXPUGVQSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octahydro-2(1H)-quinolinone (CAS 54802-19-6), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: 3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one.
Chemical Property Profile of Octahydro-2(1H)-quinolinone
Property Insights of Octahydro-2(1H)-quinolinone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydro-2(1H)-quinolinone. With a topological polar surface area (TPSA) of 29.1 Ų, Octahydro-2(1H)-quinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-2(1H)-quinolinone has 1 hydrogen bond donor(s) and 1 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 Octahydro-2(1H)-quinolinone?
The CAS number of Octahydro-2(1H)-quinolinone is 54802-19-6.
What is the molecular formula of Octahydro-2(1H)-quinolinone?
The molecular formula of Octahydro-2(1H)-quinolinone is C9H15NO.
What is the molecular weight of Octahydro-2(1H)-quinolinone?
The molecular weight of Octahydro-2(1H)-quinolinone is 153.12 g/mol.
Where can I buy Octahydro-2(1H)-quinolinone?
You can request a quote for Octahydro-2(1H)-quinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-2(1H)-quinolinone?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-2(1H)-quinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.