CAS RN: 5552-46-5
6-IODO-8-NITROQUINOLINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260114 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS5552-46-5
- Purity/Analytical Methods: >99.0%
5552-46-5 / 6-iodo-8-nitroquinoline
Basic Information
CAS
5552-46-5
Multi CAS
No
Molecular Formula
C9H5In2O2
Molecular Weight
300.050000
Exact Mass
299.939570
InChI
InChI=1S/C9H5IN2O2/c10-7-4-6-2-1-3-11-9(6)8(5-7)12(13)14/h1-5H
InChIKey
MNONEVLFFGBYHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
61.11
TPSA
56.03
LogP / Solubility
WLOGP
2.75
MLOGP
2.43
XLogP3
2.1
Consensus LogP
2.43
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.01
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)
-2.6
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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