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CAS 78946-17-5 2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBALDEHYDE molecular structure lightbox
CAS RN: 78946-17-5

2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBALDEHYDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-188180
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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 78946-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

78946-17-5 / 2-(trifluoromethyl)quinoline-4-carbaldehyde

Standard CAS: 78946-17-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78946-17-5
Multi CAS
No
Molecular Formula
C11F3H6NO
Molecular Weight
225.170000
Exact Mass
225.040148
InChI
InChI=1S/C11H6F3NO/c12-11(13,14)10-5-7(6-16)8-3-1-2-4-9(8)15-10/h1-6H
InChIKey
YORNOUOCXCQZJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.13
TPSA
29.96

LogP / Solubility

WLOGP
3.07
MLOGP
2.7
XLogP3
2.8
Consensus LogP
2.86
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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