CAS RN: 658709-62-7
6-Iodo-1H-quinoline-2,4-dione
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.20251201 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS658709-62-7
- Purity/Analytical Methods: >99.0%
658709-62-7 / 4-hydroxy-6-iodo-1H-quinolin-2-one
Basic Information
CAS
658709-62-7
Multi CAS
Yes
Molecular Formula
C9H6InO2
Molecular Weight
287.050000
Exact Mass
286.944330
InChI
InChI=1S/C9H6INO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-3H,4H2,(H,11,13)
InChIKey
BOUMFGOWEBRZCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.95
TPSA
53.09
LogP / Solubility
WLOGP
1.84
MLOGP
1.63
XLogP3
1.3
Consensus LogP
1.59
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17
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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