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CAS 956700-15-5 7-bromo-4-fluoroisoquinolin-1(2H)-one molecular structure lightbox
CAS RN: 956700-15-5

7-bromo-4-fluoroisoquinolin-1(2H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250913 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS956700-15-5
  • Purity/Analytical Methods: >99.0%
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956700-15-5 / 7-bromo-4-fluoro-2H-isoquinolin-1-one

Standard CAS: 956700-15-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
956700-15-5
Multi CAS
No
Molecular Formula
BC9H5NORf
Molecular Weight
242.040000
Exact Mass
240.953850
InChI
InChI=1S/C9H5BrFNO/c10-5-1-2-6-7(3-5)9(13)12-4-8(6)11/h1-4H,(H,12,13)
InChIKey
OCGGCFXJZYMUHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.23
TPSA
32.86

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
1.8
Consensus LogP
2.12
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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