CAS RN: 1374652-58-0
3-Methoxyisoquinolin-7-aMine
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.20260306 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1374652-58-0
- Purity/Analytical Methods: >99.0%
1374652-58-0 / 3-methoxyisoquinolin-7-amine
Basic Information
CAS
1374652-58-0
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
SMILES
COC1=NC=C2C=C(C=CC2=C1)N
InChI
InChI=1S/C10H10N2O/c1-13-10-5-7-2-3-9(11)4-8(7)6-12-10/h2-6H,11H2,1H3
InChIKey
WFMFKTALGLHMOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.71
TPSA
48.14
LogP / Solubility
WLOGP
1.83
MLOGP
1.6
XLogP3
1.7
Consensus LogP
1.71
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.49
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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