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CAS 886371-77-3 5-BROMO-2-TRIFLUOROMETHOXY-PYRIDINE molecular structure lightbox
CAS RN: 886371-77-3

5-BROMO-2-TRIFLUOROMETHOXY-PYRIDINE

  • Product code: SSC-199935
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >96%
  • 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 886371-77-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >96% 5 In Stock Beijing Inquiry
0.1g >96% 1 In Stock Shanghai Inquiry
0.25g >96% 1 In Stock Beijing Inquiry
5g >96% 0 Out of Stock Hong Kong Inquiry

886371-77-3 / 5-bromo-2-(trifluoromethoxy)pyridine

Standard CAS: 886371-77-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886371-77-3
Multi CAS
No
Molecular Formula
BC6H3NORf3
Molecular Weight
241.990000
Exact Mass
240.935010
InChI
InChI=1S/C6H3BrF3NO/c7-4-1-2-5(11-3-4)12-6(8,9)10/h1-3H
InChIKey
SQDAZGGFXASXDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.62
TPSA
22.12

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
3.1
Consensus LogP
2.75
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-2.25

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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