CAS RN: 90806-60-3
5-methoxyisoquinoline-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.20260209 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS90806-60-3
- Purity/Analytical Methods: >99.0%
90806-60-3 / 5-methoxyisoquinoline-1-carbonitrile
Basic Information
CAS
90806-60-3
Multi CAS
Yes
Molecular Formula
C11H8N2O
Molecular Weight
184.190000
Exact Mass
184.063663
InChI
InChI=1S/C11H8N2O/c1-14-11-4-2-3-8-9(11)5-6-13-10(8)7-12/h2-6H,1H3
InChIKey
VGOWSNRVKZXKNM-UHFFFAOYSA-N
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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![CAS 90817-87-1 5,6,7-TRIMETHYL-2,6-DIHYDRO-1H-PYRROLO[3,4-D]PYRIDAZIN-1-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90817-87-1.gif)
