CAS RN: 301155-96-4
3-hydroxy-3,4-dihydroquinolin-2(1H)-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.20250523 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS301155-96-4
- Purity/Analytical Methods: >99.0%
301155-96-4 / 3-hydroxy-3,4-dihydro-1H-quinolin-2-one
Basic Information
CAS
301155-96-4
Multi CAS
No
Molecular Formula
C9H9NO2
Molecular Weight
163.170000
Exact Mass
163.063329
InChI
InChI=1S/C9H9NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-4,8,11H,5H2,(H,10,12)
InChIKey
PQWZRNGGWFFQDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.78
TPSA
49.33
LogP / Solubility
WLOGP
0.54
MLOGP
0.47
XLogP3
0.5
Consensus LogP
0.5
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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