CAS RN: 2411635-02-2
Isoquinoline, 6-bromo-1-chloro-8-fluoro-
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.20260428 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2411635-02-2
- Purity/Analytical Methods: >99.0%
2411635-02-2 / 6-bromo-1-chloro-8-fluoroisoquinoline
Basic Information
CAS
2411635-02-2
Multi CAS
No
Molecular Formula
C9H4BrClFN
Molecular Weight
260.490000
Exact Mass
258.919970
SMILES
C1=CN=C(C2=C(C=C(C=C21)Br)F)Cl
InChI
InChI=1S/C9H4BrClFN/c10-6-3-5-1-2-13-9(11)8(5)7(12)4-6/h1-4H
InChIKey
HJWTZNMYQGDTCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
54.41
TPSA
12.89
LogP / Solubility
WLOGP
3.79
MLOGP
3.34
XLogP3
3.9
Consensus LogP
3.68
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62
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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