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CAS 53985-75-4 4-HYDROXY-7-TRIFLUOROMETHOXYQUINOLINE molecular structure lightbox
CAS RN: 53985-75-4

4-HYDROXY-7-TRIFLUOROMETHOXYQUINOLINE

Product Availability

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5 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260305 100mg Out of stock Inquiry
Batchno.20251120 1g Out of stock Inquiry
Batchno.20260111 250mg In stock Shenzhen Inquiry
Batchno.20250520 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250716 5g Out of stock Inquiry
  • Product code: SSC-161446
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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: ＞97%
  • 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 53985-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

53985-75-4 / 7-(trifluoromethoxy)-1H-quinolin-4-one

Standard CAS: 53985-75-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53985-75-4
Multi CAS
No
Molecular Formula
C10F3H6NO2
Molecular Weight
229.150000
Exact Mass
229.035063
InChI
InChI=1S/C10H6F3NO2/c11-10(12,13)16-6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
InChIKey
AULSFKAITWRAMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.25
TPSA
42.09

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
1.8
Consensus LogP
2.12
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.39

Drug-likeness / Medicinal Chemistry

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

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