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CAS 442-09-1 6-fluoro-3-methylquinolin-4-ol molecular structure lightbox
CAS RN: 442-09-1

6-fluoro-3-methylquinolin-4-ol

  • Product code: SSC-152193
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 442-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

442-09-1 / 6-fluoro-3-methyl-1H-quinolin-4-one

Standard CAS: 442-09-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
442-09-1
Multi CAS
No
Molecular Formula
C10FH8NO
Molecular Weight
177.170000
Exact Mass
177.058992
InChI
InChI=1S/C10H8FNO/c1-6-5-12-9-3-2-7(11)4-8(9)10(6)13/h2-5H,1H3,(H,12,13)
InChIKey
ONPXXNMNFDRPNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.26
TPSA
32.86

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.4

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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