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CAS 343305-41-9 4-(TERT-BUTOXY)-2,3,5,6-TETRAFLUOROSTYRENE molecular structure lightbox
CAS RN: 343305-41-9

4-(TERT-BUTOXY)-2,3,5,6-TETRAFLUOROSTYRENE

  • Product code: SSC-140666
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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 343305-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

343305-41-9 / 1-ethenyl-2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]benzene

Standard CAS: 343305-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
343305-41-9
Multi CAS
No
Molecular Formula
C12F4H12O
Molecular Weight
248.220000
Exact Mass
248.082428
InChI
InChI=1S/C12H12F4O/c1-5-6-7(13)9(15)11(10(16)8(6)14)17-12(2,3)4/h5H,1H2,2-4H3
InChIKey
QRKPOBGCHDVVRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
56.75
TPSA
9.23

LogP / Solubility

WLOGP
4.06
MLOGP
3.58
XLogP3
4.1
Consensus LogP
3.91
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
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)
-1.35

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
1.5

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