CAS RN: 28970-71-0
1-BROMO-4-METHYLISOQUINOLIN-3-AMINE
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.20250831 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS28970-71-0
- Purity/Analytical Methods: >99.0%
28970-71-0 / 1-bromo-4-methylisoquinolin-3-amine
Basic Information
CAS
28970-71-0
Multi CAS
Yes
Molecular Formula
BC10H9Rn2
Molecular Weight
237.100000
Exact Mass
235.994910
InChI
InChI=1S/C10H9BrN2/c1-6-7-4-2-3-5-8(7)9(11)13-10(6)12/h2-5H,1H3,(H2,12,13)
InChIKey
YCVJUPIKBPADHA-UHFFFAOYSA-N
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
58.59
TPSA
38.91
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
3.1
Consensus LogP
2.85
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.12
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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