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CAS 352521-51-8 7-FLUORO-3-QUINOLINECARBONITRILE molecular structure lightbox
CAS RN: 352521-51-8

7-FLUORO-3-QUINOLINECARBONITRILE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 100mg / 250mg / 500mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS352521-51-8
  • Purity/Analytical Methods: >99.0%
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352521-51-8 / 7-fluoroquinoline-3-carbonitrile

Standard CAS: 352521-51-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
352521-51-8
Multi CAS
No
Molecular Formula
C10FH5N2
Molecular Weight
172.160000
Exact Mass
172.043676
InChI
InChI=1S/C10H5FN2/c11-9-2-1-8-3-7(5-12)6-13-10(8)4-9/h1-4,6H
InChIKey
CRDISMZBOJPSJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
46.42
TPSA
36.68

LogP / Solubility

WLOGP
2.25
MLOGP
1.97
XLogP3
1.7
Consensus LogP
1.97
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.18

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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