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CAS 134914-92-4 Pyridine, 4-broMo-2,6-bis(trifluoroMethyl)- molecular structure lightbox
CAS RN: 134914-92-4

Pyridine, 4-broMo-2,6-bis(trifluoroMethyl)-

  • Product code: SSC-042746
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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 134914-92-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

134914-92-4 / 4-bromo-2,6-bis(trifluoromethyl)pyridine

Standard CAS: 134914-92-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134914-92-4
Multi CAS
No
Molecular Formula
C7H2BrF6N
Molecular Weight
293.990000
Exact Mass
292.927480
SMILES
C1=C(C=C(N=C1C(F)(F)F)C(F)(F)F)Br
InChI
InChI=1S/C7H2BrF6N/c8-3-1-4(6(9,10)11)15-5(2-3)7(12,13)14/h1-2H
InChIKey
UZOZLEVNCJCYLZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
1
Molar refractivity
41.94
TPSA
12.89

LogP / Solubility

WLOGP
3.88
MLOGP
3.43
XLogP3
3.4
Consensus LogP
3.57
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76

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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