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CAS 114417-39-9 4(1H)-Quinolinone, 6,7-difluoro-2,3-dihydro- molecular structure lightbox
CAS RN: 114417-39-9

4(1H)-Quinolinone, 6,7-difluoro-2,3-dihydro-

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260429 100mg Out of stock Inquiry
Batchno.20250416 1g Out of stock Inquiry
Batchno.20260222 250mg Out of stock Inquiry
  • Product code: SSC-014214
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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 114417-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

114417-39-9 / 6,7-difluoro-2,3-dihydro-1H-quinolin-4-one

6,7-Difluoro-1,2,3,4-tetrahydroquinolin-4-one | MFCD28457241 | 6,7-difluoro-2,3-dihydro-1H-quinolin-4-one

Standard CAS: 114417-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
114417-39-9
Multi CAS
No
Molecular Formula
C9H7F2NO
Molecular Weight
183.150000
Exact Mass
183.049570
SMILES
C1CNC2=CC(=C(C=C2C1=O)F)F
InChI
InChI=1S/C9H7F2NO/c10-6-3-5-8(4-7(6)11)12-2-1-9(5)13/h3-4,12H,1-2H2
InChIKey
HBZSZOBKUBTGLE-UHFFFAOYSA-N
Synonyms
6,7-Difluoro-1,2,3,4-tetrahydroquinolin-4-one MFCD28457241 6,7-difluoro-2,3-dihydro-1H-quinolin-4-one 6,7-difluoro-2,3-dihydroquinolin-4(1H)-one SCHEMBL9803751

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.8
TPSA
29.1

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
1.6
Consensus LogP
1.76
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

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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