CAS RN: 1179148-80-1
6-Methoxyisoquinoline-1-carbonitrile
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250501 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1179148-80-1
- Purity/Analytical Methods: >99.0%
1179148-80-1 / 6-methoxyisoquinoline-1-carbonitrile
6-METHOXYISOQUINOLINE-1-CARBONITRILE | MFCD20038432 | SCHEMBL754047
Basic Information
CAS
1179148-80-1
Multi CAS
No
Molecular Formula
C11H8N2O
Molecular Weight
184.190000
Exact Mass
184.063663
SMILES
COC1=CC2=C(C=C1)C(=NC=C2)C#N
InChI
InChI=1S/C11H8N2O/c1-14-9-2-3-10-8(6-9)4-5-13-11(10)7-12/h2-6H,1H3
InChIKey
ZZBHBQQKLLJFOW-UHFFFAOYSA-N
Synonyms
6-METHOXYISOQUINOLINE-1-CARBONITRILE
MFCD20038432
SCHEMBL754047
AKOS022879619
BS-14506
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.01
TPSA
45.91
LogP / Solubility
WLOGP
2.12
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.34
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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