CAS RN: 1542564-70-4
1-bromo-4-methylisoquinoline
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.20250928 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1542564-70-4
- Purity/Analytical Methods: >99.0%
1542564-70-4 / 1-bromo-4-methylisoquinoline
Basic Information
CAS
1542564-70-4
Multi CAS
No
Molecular Formula
C10H8BrN
Molecular Weight
222.080000
Exact Mass
220.984010
SMILES
CC1=CN=C(C2=CC=CC=C12)Br
InChI
InChI=1S/C10H8BrN/c1-7-6-12-10(11)9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey
IZLSEUQDOVQLRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
54.18
TPSA
12.89
LogP / Solubility
WLOGP
3.31
MLOGP
2.91
XLogP3
3.5
Consensus LogP
3.24
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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