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CAS 1352443-02-7 2-broMo-7-(trifluoroMethyl) quinoline molecular structure lightbox
CAS RN: 1352443-02-7

2-broMo-7-(trifluoroMethyl) quinoline

  • Product code: SSC-043308
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1352443-02-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1352443-02-7 / 2-bromo-7-(trifluoromethyl)quinoline

Standard CAS: 1352443-02-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1352443-02-7
Multi CAS
No
Molecular Formula
C10H5BrF3N
Molecular Weight
276.050000
Exact Mass
274.955750
SMILES
C1=CC(=CC2=C1C=CC(=N2)Br)C(F)(F)F
InChI
InChI=1S/C10H5BrF3N/c11-9-4-2-6-1-3-7(10(12,13)14)5-8(6)15-9/h1-5H
InChIKey
JDUVATGURQTKNJ-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
4.1
Consensus LogP
3.89
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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