Perhydro-3-isoquinolinone
TL;DR: Perhydro-3-isoquinolinone (CAS 89104-95-0) 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.
2,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-one
Also Known As: perhydro-3-isoquinolinone, Octahydro-3(2H)-isoquinolinone, 3(2H)-Isoquinolinone, octahydro-, cis-, 3(2H)-Isoquinolinone, octahydro-, trans-, 2,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-one
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.5 |
| 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 | 89104-95-0 |
|---|---|
| SMILES | C1CCC2CNC(=O)CC2C1 |
| InChIKey | JOLSVXSBWWWNDN-UHFFFAOYSA-N |
Product Overview
Perhydro-3-isoquinolinone (CAS 89104-95-0), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: 2,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-one.
Chemical Property Profile of Perhydro-3-isoquinolinone
Property Insights of Perhydro-3-isoquinolinone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Perhydro-3-isoquinolinone. With a topological polar surface area (TPSA) of 29.1 Ų, Perhydro-3-isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perhydro-3-isoquinolinone 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 Perhydro-3-isoquinolinone?
The CAS number of Perhydro-3-isoquinolinone is 89104-95-0.
What is the molecular formula of Perhydro-3-isoquinolinone?
The molecular formula of Perhydro-3-isoquinolinone is C9H15NO.
What is the molecular weight of Perhydro-3-isoquinolinone?
The molecular weight of Perhydro-3-isoquinolinone is 153.12 g/mol.
Where can I buy Perhydro-3-isoquinolinone?
You can request a quote for Perhydro-3-isoquinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perhydro-3-isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for Perhydro-3-isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.