CAS RN: 1156919-75-3
8-Bromo-4-hydroxy-6-methylquinoline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250810 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1156919-75-3
- Purity/Analytical Methods: >99.0%
1156919-75-3 / 8-bromo-6-methyl-1H-quinolin-4-one
8-Bromo-4-hydroxy-6-methylquinoline | 8-Bromo-6-methyl-4(1H)-quinolinone | 8-Bromo-6-methylquinolin-4(1H)-one
Basic Information
CAS
1156919-75-3
Multi CAS
No
Molecular Formula
C10H8BrNO
Molecular Weight
238.080000
Exact Mass
236.978930
SMILES
CC1=CC2=C(C(=C1)Br)NC=CC2=O
InChI
InChI=1S/C10H8BrNO/c1-6-4-7-9(13)2-3-12-10(7)8(11)5-6/h2-5H,1H3,(H,12,13)
InChIKey
NIWBUEWBEOUAOF-UHFFFAOYSA-N
Synonyms
8-Bromo-4-hydroxy-6-methylquinoline
8-Bromo-6-methyl-4(1H)-quinolinone
8-Bromo-6-methylquinolin-4(1H)-one
8-bromo-6-methylquinolin-4-ol
DTXSID50656137
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
57.01
TPSA
32.86
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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