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CAS 1369071-72-6 8-Fluoro-isoquinolin-1-ylamine molecular structure lightbox
CAS RN: 1369071-72-6

8-Fluoro-isoquinolin-1-ylamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1369071-72-6
  • Purity/Analytical Methods: >99.0%
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1369071-72-6 / 8-fluoroisoquinolin-1-amine

Standard CAS: 1369071-72-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1369071-72-6
Multi CAS
No
Molecular Formula
C9H7FN2
Molecular Weight
162.160000
Exact Mass
162.059326
SMILES
C1=CC2=C(C(=C1)F)C(=NC=C2)N
InChI
InChI=1S/C9H7FN2/c10-7-3-1-2-6-4-5-12-9(11)8(6)7/h1-5H,(H2,11,12)
InChIKey
UCHZRSCYULMEQZ-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
46.11
TPSA
38.91

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.9
Consensus LogP
1.86
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.32

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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