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CAS 943320-48-7 3-(1H-imidazol-1-yl)-5-(trifluoromethyl)aniline molecular structure lightbox
CAS RN: 943320-48-7

3-(1H-imidazol-1-yl)-5-(trifluoromethyl)aniline

  • Product code: SSC-209034
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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 943320-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

943320-48-7 / 3-imidazol-1-yl-5-(trifluoromethyl)aniline

Standard CAS: 943320-48-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
943320-48-7
Multi CAS
No
Molecular Formula
C10F3H8N3
Molecular Weight
227.190000
Exact Mass
227.067032
InChI
InChI=1S/C10H8F3N3/c11-10(12,13)7-3-8(14)5-9(4-7)16-2-1-15-6-16/h1-6H,14H2
InChIKey
KZPKULGYMCRGJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.98
TPSA
43.84

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
1.9
Consensus LogP
2.18
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

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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