CAS RN: 111454-67-2
8-chloro-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.20250301 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS111454-67-2
- Purity/Analytical Methods: >99.0%
111454-67-2 / 8-chloro-6-iodoquinoline
8-Chloro-6-iodoquinoline | MFCD22376737 | 8-chloro-6-iodo-quinoline
Basic Information
CAS
111454-67-2
Multi CAS
No
Molecular Formula
C9H5ClIN
Molecular Weight
289.500000
Exact Mass
288.915520
SMILES
C1=CC2=CC(=CC(=C2N=C1)Cl)I
InChI
InChI=1S/C9H5ClIN/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h1-5H
InChIKey
PLXHUDSVFBPVEF-UHFFFAOYSA-N
Synonyms
8-Chloro-6-iodoquinoline
MFCD22376737
8-chloro-6-iodo-quinoline
SCHEMBL22270741
DTXSID00743329
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
59.47
TPSA
12.89
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
3.1
Consensus LogP
3.22
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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