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CAS 886364-57-4 1-(6-BROMOPYRIDIN-2-YL)-2,2,2-TRIFLUOROETHANONE molecular structure lightbox
CAS RN: 886364-57-4

1-(6-BROMOPYRIDIN-2-YL)-2,2,2-TRIFLUOROETHANONE

  • Product code: SSC-199830
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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, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 886364-57-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

886364-57-4 / 1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanone

Standard CAS: 886364-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886364-57-4
Multi CAS
No
Molecular Formula
BC7H3NORf3
Molecular Weight
254.000000
Exact Mass
252.935010
InChI
InChI=1S/C7H3BrF3NO/c8-5-3-1-2-4(12-5)6(13)7(9,10)11/h1-3H
InChIKey
IRHXXHPAPZNQEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.32
TPSA
29.96

LogP / Solubility

WLOGP
2.59
MLOGP
2.28
XLogP3
3
Consensus LogP
2.62
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-2.43

Drug-likeness / Medicinal Chemistry

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

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