CAS RN: 1783394-01-3
4-Bromo-7-chloro-isoquinolin-1-ylamine
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.20251106 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1783394-01-3
- Purity/Analytical Methods: >99.0%
1783394-01-3 / 4-bromo-7-chloroisoquinolin-1-amine
Basic Information
CAS
1783394-01-3
Multi CAS
No
Molecular Formula
C9H6BrClN2
Molecular Weight
257.510000
Exact Mass
255.940290
SMILES
C1=CC2=C(C=C1Cl)C(=NC=C2Br)N
InChI
InChI=1S/C9H6BrClN2/c10-8-4-13-9(12)7-3-5(11)1-2-6(7)8/h1-4H,(H2,12,13)
InChIKey
FYXVPSZQTSTDMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.87
TPSA
38.91
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
3.1
Consensus LogP
3.06
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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