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CAS 434-42-4 (1-Bromo-2,2,2-trifluoroethyl)benzene molecular structure lightbox
CAS RN: 434-42-4

(1-Bromo-2,2,2-trifluoroethyl)benzene

  • Product code: SSC-151649
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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 434-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

434-42-4 / (1-bromo-2,2,2-trifluoroethyl)benzene

Standard CAS: 434-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
434-42-4
Multi CAS
No
Molecular Formula
BC8H6Rf3
Molecular Weight
239.030000
Exact Mass
237.960500
InChI
InChI=1S/C8H6BrF3/c9-7(8(10,11)12)6-4-2-1-3-5-6/h1-5,7H
InChIKey
IRICHAOGAOFEQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.17
TPSA
0.0000

LogP / Solubility

WLOGP
3.68
MLOGP
3.25
XLogP3
3.6
Consensus LogP
3.51
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly 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)
-1.56

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
2

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