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CAS 1162257-62-6 2-(Allyloxy)-1-bromo-4-(trifluoromethoxy)benzene molecular structure lightbox
CAS RN: 1162257-62-6

2-(Allyloxy)-1-bromo-4-(trifluoromethoxy)benzene

  • Product code: SSC-016340
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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 1162257-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1162257-62-6 / 1-bromo-2-prop-2-enoxy-4-(trifluoromethoxy)benzene

2-(Allyloxy)-1-bromo-4-(trifluoromethoxy)benzene | MFCD12910502 | DTXSID60680261

Standard CAS: 1162257-62-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1162257-62-6
Multi CAS
Yes
Molecular Formula
C10H8BrF3O2
Molecular Weight
297.070000
Exact Mass
295.965980
SMILES
C=CCOC1=C(C=CC(=C1)OC(F)(F)F)Br
InChI
InChI=1S/C10H8BrF3O2/c1-2-5-15-9-6-7(3-4-8(9)11)16-10(12,13)14/h2-4,6H,1,5H2
InChIKey
CGEIKOBUYRGXOE-UHFFFAOYSA-N
Synonyms
2-(Allyloxy)-1-bromo-4-(trifluoromethoxy)benzene MFCD12910502 DTXSID60680261 AC3048 AKOS027256699

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
56.52
TPSA
18.46

LogP / Solubility

WLOGP
3.91
MLOGP
3.45
XLogP3
4.4
Consensus LogP
3.92
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
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)
-1.75

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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