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CAS 56225-81-1 3-(4-(TRIFLUOROMETHYL)PHENOXY)-N,N-DIMETHYL-3-PHENYLPROPAN-1-AMINE molecular structure lightbox
CAS RN: 56225-81-1

3-(4-(TRIFLUOROMETHYL)PHENOXY)-N,N-DIMETHYL-3-PHENYLPROPAN-1-AMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-164211
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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 56225-81-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

56225-81-1 / N,N-dimethyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

Standard CAS: 56225-81-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56225-81-1
Multi CAS
No
Molecular Formula
C18F3H20NO
Molecular Weight
323.400000
Exact Mass
323.149699
InChI
InChI=1S/C18H20F3NO/c1-22(2)13-12-17(14-6-4-3-5-7-14)23-16-10-8-15(9-11-16)18(19,20)21/h3-11,17H,12-13H2,1-2H3
InChIKey
QUFZVVNFYXEIAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
84.43
TPSA
12.47

LogP / Solubility

WLOGP
4.78
MLOGP
4.22
XLogP3
4.5
Consensus LogP
4.5
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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