CAS RN: 490039-72-0
4-IODOPYRIDINE-3-CARBONITRILE
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.20260130 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS490039-72-0
- Purity/Analytical Methods: >99.0%
490039-72-0 / 4-iodopyridine-3-carbonitrile
Basic Information
CAS
490039-72-0
Multi CAS
No
Molecular Formula
C6H3In2
Molecular Weight
230.010000
Exact Mass
229.934100
InChI
InChI=1S/C6H3IN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H
InChIKey
CJKHIIQONPNAIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
41.67
TPSA
36.68
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
1.2
Consensus LogP
1.38
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
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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