CAS RN: 1402886-92-3
4-Isoquinolinol, 7-bromo-
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.20260226 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1402886-92-3
- Purity/Analytical Methods: >99.0%
1402886-92-3 / 7-bromoisoquinolin-4-ol
Basic Information
CAS
1402886-92-3
Multi CAS
No
Molecular Formula
C9H6BrNO
Molecular Weight
224.050000
Exact Mass
222.963280
SMILES
C1=CC2=C(C=NC=C2C=C1Br)O
InChI
InChI=1S/C9H6BrNO/c10-7-1-2-8-6(3-7)4-11-5-9(8)12/h1-5,12H
InChIKey
PAIWZIRXPMHCIY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.11
TPSA
33.12
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.4
Consensus LogP
2.49
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
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)
-2.17
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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