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CAS 7574-64-3 1-Chloroisoquinolin-3-aMine molecular structure lightbox
CAS RN: 7574-64-3

1-Chloroisoquinolin-3-aMine

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5 package records0 with current stock1 grade group
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Batchno.20250419 100mg Out of stock Inquiry
Batchno.20260117 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS7574-64-3
  • Purity/Analytical Methods: >99.0%
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7574-64-3 / 1-chloroisoquinolin-3-amine

Standard CAS: 7574-64-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7574-64-3
Multi CAS
No
Molecular Formula
C9H7CLN2
Molecular Weight
178.620000
Exact Mass
178.029776
InChI
InChI=1S/C9H7ClN2/c10-9-7-4-2-1-3-6(7)5-8(11)12-9/h1-5H,(H2,11,12)
InChIKey
IUXVAIRMPDVFDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.17
TPSA
38.91

LogP / Solubility

WLOGP
2.47
MLOGP
2.17
XLogP3
2.7
Consensus LogP
2.45
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.06

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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