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CAS 1150618-29-3 5,7-difluoro-3-hydroxyquinolin-2(1H)-one molecular structure lightbox
CAS RN: 1150618-29-3

5,7-difluoro-3-hydroxyquinolin-2(1H)-one

  • Product code: SSC-014796
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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 1150618-29-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1150618-29-3 / 5,7-difluoro-3-hydroxy-1H-quinolin-2-one

5,7-difluoro-3-hydroxyquinolin-2(1H)-one | 5,7-difluoro-3-hydroxy-1H-quinolin-2-one | 5,7-difluoro-3-hydroxy-1,2-dihydroquinolin-2-one

Standard CAS: 1150618-29-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1150618-29-3
Multi CAS
Yes
Molecular Formula
C9H5F2NO2
Molecular Weight
197.140000
Exact Mass
197.028835
SMILES
C1=C(C=C(C2=C1NC(=O)C(=C2)O)F)F
InChI
InChI=1S/C9H5F2NO2/c10-4-1-6(11)5-3-8(13)9(14)12-7(5)2-4/h1-3,13H,(H,12,14)
InChIKey
HSKXDIIAUCJFRE-UHFFFAOYSA-N
Synonyms
5,7-difluoro-3-hydroxyquinolin-2(1H)-one 5,7-difluoro-3-hydroxy-1H-quinolin-2-one 5,7-difluoro-3-hydroxy-1,2-dihydroquinolin-2-one SCHEMBL8872746 DTXSID50633307

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.15
TPSA
53.09

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.4
Consensus LogP
1.41
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.85

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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