CAS RN: 20434-92-8
2-(4-Hydroxyphenyl)-2H-isoquinolin-1-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250609 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS20434-92-8
- Purity/Analytical Methods: >99.0%
20434-92-8 / 2-(4-hydroxyphenyl)isoquinolin-1-one
Basic Information
CAS
20434-92-8
Multi CAS
No
Molecular Formula
C15H11NO2
Molecular Weight
237.250000
Exact Mass
237.078979
SMILES
C1=CC=C2C(=C1)C=CN(C2=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H11NO2/c17-13-7-5-12(6-8-13)16-10-9-11-3-1-2-4-14(11)15(16)18/h1-10,17H
InChIKey
IOQLQCNDZDXQEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.21
TPSA
42.23
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.7
Consensus LogP
2.59
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
