CAS RN: 103028-34-8
5-BROMO-7-METHYL-QUINOLIN-8-OL
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.20260622 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS103028-34-8
- Purity/Analytical Methods: >99.0%
103028-34-8 / 5-bromo-7-methylquinolin-8-ol
5-bromo-7-methylquinolin-8-ol | 5-Bromo-7-methyl-8-quinolinol | SCHEMBL13283110
Basic Information
CAS
103028-34-8
Multi CAS
No
Molecular Formula
C10H8BrNO
Molecular Weight
238.080000
Exact Mass
236.978930
SMILES
CC1=CC(=C2C=CC=NC2=C1O)Br
InChI
InChI=1S/C10H8BrNO/c1-6-5-8(11)7-3-2-4-12-9(7)10(6)13/h2-5,13H,1H3
InChIKey
AMKJPXRVWKHVBZ-UHFFFAOYSA-N
Synonyms
5-bromo-7-methylquinolin-8-ol
5-Bromo-7-methyl-8-quinolinol
SCHEMBL13283110
5-bromo-7-methyl-quinolin-8-ol
5-bromanyl-7-methyl-quinolin-8-ol
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.84
TPSA
33.12
LogP / Solubility
WLOGP
3.01
MLOGP
2.65
XLogP3
2.9
Consensus LogP
2.85
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
