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CAS 22614-75-1 6-FLUOROQUINOLIN-2(1H)-ONE molecular structure lightbox
CAS RN: 22614-75-1

6-FLUOROQUINOLIN-2(1H)-ONE

  • Product code: SSC-110540
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22614-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 1 In Stock Beijing Inquiry
1g >98% 1 In Stock Shenzhen Inquiry
5g >98% 1 In Stock Shanghai Inquiry
10g >98% 1 In Stock Shenzhen Inquiry
25g >98% 0 Out of Stock Beijing Inquiry

22614-75-1 / 6-fluoro-1H-quinolin-2-one

Standard CAS: 22614-75-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22614-75-1
Multi CAS
No
Molecular Formula
C9H6FNO
Molecular Weight
163.150000
Exact Mass
163.043342
SMILES
C1=CC2=C(C=CC(=O)N2)C=C1F
InChI
InChI=1S/C9H6FNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)
InChIKey
CJVMYPHDEMEFEM-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
1.4
Consensus LogP
1.51
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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