CAS RN: 623163-58-6
5-ISOCYANOINDOL
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.20250723 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS623163-58-6
- Purity/Analytical Methods: >99.0%
623163-58-6 / 5-isocyano-1H-indole
Basic Information
CAS
623163-58-6
Multi CAS
Yes
Molecular Formula
C9H6N2
Molecular Weight
142.160000
Exact Mass
142.053098
InChI
InChI=1S/C9H6N2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-6,11H
InChIKey
IREVRVZABOBJCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.56
TPSA
20.15
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.4
Consensus LogP
2.5
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately 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)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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