CAS RN: 88474-18-4

5-FLUORO-8-METHYLQUINOLINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS88474-18-4
  • Purity/Analytical Methods: >99.0%
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88474-18-4 / 5-fluoro-8-methylquinoline

Standard CAS: 88474-18-4 Multi CAS: No

Basic Information

CAS
88474-18-4
Multi CAS
No
Molecular Formula
C10FH8N
Molecular Weight
161.180000
Exact Mass
161.064077
InChI
InChI=1S/C10H8FN/c1-7-4-5-9(11)8-3-2-6-12-10(7)8/h2-6H,1H3
InChIKey
XEJHEHMTWJYXGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
46.44
TPSA
12.89

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
2.7
Consensus LogP
2.58
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-1.8

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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