CAS RN: 1367744-24-8
5-methylisoquinoline-1-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.20260415 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1367744-24-8
- Purity/Analytical Methods: >99.0%
1367744-24-8 / 5-methylisoquinoline-1-carbonitrile
Basic Information
CAS
1367744-24-8
Multi CAS
No
Molecular Formula
C11H8N2
Molecular Weight
168.190000
Exact Mass
168.068748
SMILES
CC1=C2C=CN=C(C2=CC=C1)C#N
InChI
InChI=1S/C11H8N2/c1-8-3-2-4-10-9(8)5-6-13-11(10)7-12/h2-6H,1H3
InChIKey
OPKHNJHNOZCQBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
H-bond acceptors
2
Molar refractivity
51.2
TPSA
36.68
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.5
Consensus LogP
2.34
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.03
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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