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CAS 590371-97-4 4-BROMO-3-(TRIFLUOROMETHYL)QUINOLINE molecular structure lightbox
CAS RN: 590371-97-4

4-BROMO-3-(TRIFLUOROMETHYL)QUINOLINE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250614 1g In stock Inquiry
Batchno.20260614 250mg In stock Inquiry
Batchno.20250913 50mg In stock Inquiry
  • Product code: SSC-167412
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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 590371-97-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

590371-97-4 / 4-bromo-3-(trifluoromethyl)quinoline

Standard CAS: 590371-97-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
590371-97-4
Multi CAS
No
Molecular Formula
BC10H5NRf3
Molecular Weight
276.050000
Exact Mass
274.955750
InChI
InChI=1S/C10H5BrF3N/c11-9-6-3-1-2-4-8(6)15-5-7(9)10(12,13)14/h1-5H
InChIKey
UCQJHOZLNFXSCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
54.45
TPSA
12.89

LogP / Solubility

WLOGP
4.02
MLOGP
3.54
XLogP3
3.8
Consensus LogP
3.79
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55

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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