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CAS 852392-18-8 2-AMINO-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANOL HCL molecular structure lightbox
CAS RN: 852392-18-8

2-AMINO-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANOL HCL

  • Product code: SSC-193535
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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: 0.25g
  • 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 852392-18-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

852392-18-8 / 2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol

Standard CAS: 852392-18-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
852392-18-8
Multi CAS
Yes
Molecular Formula
C9F3H10NO2
Molecular Weight
221.180000
Exact Mass
221.066363
InChI
InChI=1S/C9H10F3NO2/c10-9(11,12)15-7-3-1-2-6(4-7)8(14)5-13/h1-4,8,14H,5,13H2
InChIKey
AQGZPXKBMIKDGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.14
TPSA
55.48

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.3
Consensus LogP
1.42
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.95

Drug-likeness / Medicinal Chemistry

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

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