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CAS 1142193-11-0 7,8-Difluoro-4-hydroxyquinoline molecular structure lightbox
CAS RN: 1142193-11-0

7,8-Difluoro-4-hydroxyquinoline

  • Product code: SSC-014085
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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 1142193-11-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1142193-11-0 / 7,8-difluoro-1H-quinolin-4-one

7,8-Difluoro-4-hydroxyquinoline | 7,8-Difluoroquinolin-4-ol | 7,8-difluoro-1H-quinolin-4-one

Standard CAS: 1142193-11-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1142193-11-0
Multi CAS
No
Molecular Formula
C9H5F2NO
Molecular Weight
181.140000
Exact Mass
181.033920
SMILES
C1=CC(=C(C2=C1C(=O)C=CN2)F)F
InChI
InChI=1S/C9H5F2NO/c10-6-2-1-5-7(13)3-4-12-9(5)8(6)11/h1-4H,(H,12,13)
InChIKey
FCMOETXRLDHWLW-UHFFFAOYSA-N
Synonyms
7,8-Difluoro-4-hydroxyquinoline 7,8-Difluoroquinolin-4-ol 7,8-difluoro-1H-quinolin-4-one MFCD11870786 7,8-Difluoro-4-quinolinol

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.48
TPSA
32.86

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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