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CAS 37577-22-3 (R)-1-(3-TRIFLUOROMETHYLPHENYL)-2-AMINOPROPANE molecular structure lightbox
CAS RN: 37577-22-3

(R)-1-(3-TRIFLUOROMETHYLPHENYL)-2-AMINOPROPANE

  • Product code: SSC-144985
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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 37577-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

37577-22-3 / 1-[3-(trifluoromethyl)phenyl]propan-2-amine

Standard CAS: 37577-22-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37577-22-3
Multi CAS
Yes
Molecular Formula
C10F3H12N
Molecular Weight
203.200000
Exact Mass
203.092184
InChI
InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m1/s1
InChIKey
MLBHFBKZUPLWBD-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.8
TPSA
26.02

LogP / Solubility

WLOGP
2.6
MLOGP
2.28
XLogP3
2.5
Consensus LogP
2.46
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-2.12

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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