CAS RN: 886362-71-6
6-BROMO-4-CHLORO-8-FLUORO-QUINOLINE-3-CARBONITRILE
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.20250817 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS886362-71-6
- Purity/Analytical Methods: >99.0%
886362-71-6 / 6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile
Basic Information
CAS
886362-71-6
Multi CAS
No
Molecular Formula
C10H3BRCLFN2
Molecular Weight
285.500000
Exact Mass
283.915220
InChI
InChI=1S/C10H3BrClFN2/c11-6-1-7-9(12)5(3-14)4-15-10(7)8(13)2-6/h1-2,4H
InChIKey
JJPMRRDVDYXAKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
59.13
TPSA
36.68
LogP / Solubility
WLOGP
3.66
MLOGP
3.23
XLogP3
3.3
Consensus LogP
3.4
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
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)
-1.86
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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