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CAS 56935-71-8 4-(TRIFLUOROMETHOXY)BENZAMIDOXIME molecular structure lightbox
CAS RN: 56935-71-8

4-(TRIFLUOROMETHOXY)BENZAMIDOXIME

  • Product code: SSC-164972
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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: ≥97%
  • 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 56935-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

56935-71-8 / N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide

Standard CAS: 56935-71-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56935-71-8
Multi CAS
Yes
Molecular Formula
C8F3H7N2O2
Molecular Weight
220.150000
Exact Mass
220.045962
InChI
InChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)
InChIKey
COHKFOZYLCDVRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.64
TPSA
67.84

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
2.2
Consensus LogP
1.79
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-2.87

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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