CAS RN: 84165-50-4
5,7-dibromo-8-benzyloxyquinoline
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.20251012 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS84165-50-4
- Purity/Analytical Methods: >99.0%
84165-50-4 / 5,7-dibromo-8-phenylmethoxyquinoline
Basic Information
CAS
84165-50-4
Multi CAS
No
Molecular Formula
C16H11BR2NO
Molecular Weight
393.070000
Exact Mass
392.918690
InChI
InChI=1S/C16H11Br2NO/c17-13-9-14(18)16(15-12(13)7-4-8-19-15)20-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey
GLRLAIQRBWDBGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
87.92
TPSA
22.12
LogP / Solubility
WLOGP
5.34
MLOGP
4.72
XLogP3
5
Consensus LogP
5.02
Log S (ESOL)
-6.03
Class (ESOL)
Insoluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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