CAS RN: 1260787-47-0
6-Bromo-4-chloro-3-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.20260430 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1260787-47-0
- Purity/Analytical Methods: >99.0%
1260787-47-0 / 6-bromo-4-chloro-3-iodoquinoline
Basic Information
CAS
1260787-47-0
Multi CAS
No
Molecular Formula
C9H4BrClIN
Molecular Weight
368.390000
Exact Mass
366.826040
SMILES
C1=CC2=NC=C(C(=C2C=C1Br)Cl)I
InChI
InChI=1S/C9H4BrClIN/c10-5-1-2-8-6(3-5)9(11)7(12)4-13-8/h1-4H
InChIKey
WWGORJUJIJKUIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
67.17
TPSA
12.89
LogP / Solubility
WLOGP
4.26
MLOGP
3.76
XLogP3
4.2
Consensus LogP
4.07
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble
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)
-1.95
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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