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CAS 672948-65-1 5-BroMo-2-(trifluoroMethoxy)anisole molecular structure lightbox
CAS RN: 672948-65-1

5-BroMo-2-(trifluoroMethoxy)anisole

  • Product code: SSC-176998
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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 672948-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

672948-65-1 / 4-bromo-2-methoxy-1-(trifluoromethoxy)benzene

Standard CAS: 672948-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
672948-65-1
Multi CAS
No
Molecular Formula
BC8H6O2Rf3
Molecular Weight
271.030000
Exact Mass
269.950330
InChI
InChI=1S/C8H6BrF3O2/c1-13-7-4-5(9)2-3-6(7)14-8(10,11)12/h2-4H,1H3
InChIKey
LDGCUJSMICRHPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.38
TPSA
18.46

LogP / Solubility

WLOGP
3.36
MLOGP
2.96
XLogP3
4
Consensus LogP
3.44
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
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)
-1.99

Drug-likeness / Medicinal Chemistry

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

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