CAS RN: 54904-38-0
8-CHLORO-4-METHYLQUINOLIN-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.20260228 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54904-38-0
- Purity/Analytical Methods: >99.0%
54904-38-0 / 8-chloro-4-methyl-1H-quinolin-2-one
Basic Information
CAS
54904-38-0
Multi CAS
Yes
Molecular Formula
C10H8CLNO
Molecular Weight
193.630000
Exact Mass
193.029442
InChI
InChI=1S/C10H8ClNO/c1-6-5-9(13)12-10-7(6)3-2-4-8(10)11/h2-5H,1H3,(H,12,13)
InChIKey
RKUQBHSURCBJSX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.32
TPSA
32.86
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
1.9
Consensus LogP
2.19
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 54906-42-2 3,4-DIHYDRO-2H-PYRROLO[1,2-A]PYRAZIN-1-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/54906-42-2.gif)
