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CAS 1070897-08-3 6-fluoro-2-methylquinolin-8-ol molecular structure lightbox
CAS RN: 1070897-08-3

6-fluoro-2-methylquinolin-8-ol

  • Product code: SSC-008537
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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 1070897-08-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1070897-08-3 / 6-fluoro-2-methylquinolin-8-ol

6-Fluoro-8-hydroxy-2-methylquinoline | 6-fluoro-2-methylquinolin-8-ol | MFCD19690189

Standard CAS: 1070897-08-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1070897-08-3
Multi CAS
No
Molecular Formula
C10H8FNO
Molecular Weight
177.170000
Exact Mass
177.058992
SMILES
CC1=NC2=C(C=C(C=C2C=C1)F)O
InChI
InChI=1S/C10H8FNO/c1-6-2-3-7-4-8(11)5-9(13)10(7)12-6/h2-5,13H,1H3
InChIKey
HFLQAZUNFSXRSR-UHFFFAOYSA-N
Synonyms
6-Fluoro-8-hydroxy-2-methylquinoline 6-fluoro-2-methylquinolin-8-ol MFCD19690189 6-fluoro-2-methyl-8-Quinolinol SCHEMBL729647

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.1
TPSA
33.12

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
2.4
Consensus LogP
2.3
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.11

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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