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CAS 294175-07-8 4-(1-AMINO-2,2,2-TRIFLUORO-ETHYL)-PHENOL molecular structure lightbox
CAS RN: 294175-07-8

4-(1-AMINO-2,2,2-TRIFLUORO-ETHYL)-PHENOL

  • Product code: SSC-132246
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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 294175-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

294175-07-8 / 4-(1-amino-2,2,2-trifluoroethyl)phenol

Standard CAS: 294175-07-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
294175-07-8
Multi CAS
No
Molecular Formula
C8F3H8NO
Molecular Weight
191.150000
Exact Mass
191.055798
InChI
InChI=1S/C8H8F3NO/c9-8(10,11)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2
InChIKey
XIBJQYMKBQZQPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.09
TPSA
46.25

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.6
Consensus LogP
1.76
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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