CAS RN: 159768-57-7
5-AMINO-3-CYANOINDOLE
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.20250827 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS159768-57-7
- Purity/Analytical Methods: >99.0%
159768-57-7 / 5-amino-1H-indole-3-carbonitrile
Basic Information
CAS
159768-57-7
Multi CAS
No
Molecular Formula
C9H7N3
Molecular Weight
157.170000
Exact Mass
157.063997
SMILES
C1=CC2=C(C=C1N)C(=CN2)C#N
InChI
InChI=1S/C9H7N3/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5,12H,11H2
InChIKey
HQJKORKNJCYTNG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.43
TPSA
65.6
LogP / Solubility
WLOGP
1.62
MLOGP
1.42
XLogP3
1.6
Consensus LogP
1.55
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
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)
-2.53
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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