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CAS 66193-87-1 2-aMino-1,2-dihydroisoquinolin-1(2H)-one molecular structure lightbox
CAS RN: 66193-87-1

2-aMino-1,2-dihydroisoquinolin-1(2H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260426 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS66193-87-1
  • Purity/Analytical Methods: >99.0%
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66193-87-1 / 2-aminoisoquinolin-1-one

Standard CAS: 66193-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66193-87-1
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
InChI
InChI=1S/C9H8N2O/c10-11-6-5-7-3-1-2-4-8(7)9(11)12/h1-6H,10H2
InChIKey
KDZPPKQYVFWGGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.36
TPSA
48.02

LogP / Solubility

WLOGP
0.72
MLOGP
0.62
XLogP3
0.8
Consensus LogP
0.71
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

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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