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CAS 21873-50-7 6-FLUORO-4-HYDROXYQUINOLINE molecular structure lightbox
CAS RN: 21873-50-7

6-FLUORO-4-HYDROXYQUINOLINE

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260325 1g In stock Inquiry
Batchno.20250824 250mg In stock Inquiry
Batchno.20250213 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260211 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS21873-50-7
  • Purity/Analytical Methods: >99.0%
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21873-50-7 / 6-fluoro-1H-quinolin-4-one

Standard CAS: 21873-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21873-50-7
Multi CAS
No
Molecular Formula
C9H6FNO
Molecular Weight
163.150000
Exact Mass
163.043342
SMILES
C1=CC2=C(C=C1F)C(=O)C=CN2
InChI
InChI=1S/C9H6FNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)
InChIKey
BYZXOYSEYWCLOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.53
TPSA
32.86

LogP / Solubility

WLOGP
1.67
MLOGP
1.46
XLogP3
0.7
Consensus LogP
1.28
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-2.53

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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