CAS RN: 178396-18-4
1H-Indole-5-carbonitrile,7-methyl-(9CI)
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.20250314 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS178396-18-4
- Purity/Analytical Methods: >99.0%
178396-18-4 / 7-methyl-1H-indole-5-carbonitrile
Basic Information
CAS
178396-18-4
Multi CAS
No
Molecular Formula
C10H8N2
Molecular Weight
156.180000
Exact Mass
156.068748
SMILES
CC1=CC(=CC2=C1NC=C2)C#N
InChI
InChI=1S/C10H8N2/c1-7-4-8(6-11)5-9-2-3-12-10(7)9/h2-5,12H,1H3
InChIKey
WPZQMOCKZZEQTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.75
TPSA
39.58
LogP / Solubility
WLOGP
2.35
MLOGP
2.06
XLogP3
2.1
Consensus LogP
2.17
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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