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CAS 1374652-73-9 3-Methoxyisoquinolin-5-aMine molecular structure lightbox
CAS RN: 1374652-73-9

3-Methoxyisoquinolin-5-aMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250802 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1374652-73-9
  • Purity/Analytical Methods: >99.0%
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1374652-73-9 / 3-methoxyisoquinolin-5-amine

Standard CAS: 1374652-73-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374652-73-9
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
SMILES
COC1=NC=C2C=CC=C(C2=C1)N
InChI
InChI=1S/C10H10N2O/c1-13-10-5-8-7(6-12-10)3-2-4-9(8)11/h2-6H,11H2,1H3
InChIKey
DLUZDTUIRHAGOY-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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