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CAS RN: 1379345-12-6
4-Bromo-6-iodoquinoline
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.20260526 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1379345-12-6
- Purity/Analytical Methods: >99.0%
1379345-12-6 / 4-bromo-6-iodoquinoline
Basic Information
CAS
1379345-12-6
Multi CAS
No
Molecular Formula
C9H5BrIN
Molecular Weight
333.950000
Exact Mass
332.865010
SMILES
C1=CC2=NC=CC(=C2C=C1I)Br
InChI
InChI=1S/C9H5BrIN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H
InChIKey
RIMFFKOKLMUJLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
62.16
TPSA
12.89
LogP / Solubility
WLOGP
3.6
MLOGP
3.19
XLogP3
3.5
Consensus LogP
3.43
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
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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