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CAS 395-45-9 2-(TRIFLUOROMETHYL)STYRENE molecular structure lightbox
CAS RN: 395-45-9

2-(TRIFLUOROMETHYL)STYRENE

  • Product code: SSC-147156
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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: 5g
  • 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 395-45-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

395-45-9 / 1-ethenyl-2-(trifluoromethyl)benzene

Standard CAS: 395-45-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
395-45-9
Multi CAS
Yes
Molecular Formula
C9F3H7
Molecular Weight
172.150000
Exact Mass
172.049985
InChI
InChI=1S/C9H7F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h2-6H,1H2
InChIKey
VGWWQZSCLBZOGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
41.54
TPSA
0.0000

LogP / Solubility

WLOGP
3.35
MLOGP
2.94
XLogP3
3.6
Consensus LogP
3.3
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-1.39

Drug-likeness / Medicinal Chemistry

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

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