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CAS 1339566-44-7 2,2,2-TRIFLUORO-1-(TETRAHYDRO-2H-PYRAN-4-YL)ETHANAMINE molecular structure lightbox
CAS RN: 1339566-44-7

2,2,2-TRIFLUORO-1-(TETRAHYDRO-2H-PYRAN-4-YL)ETHANAMINE

  • Product code: SSC-041085
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1339566-44-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1339566-44-7 / 2,2,2-trifluoro-1-(oxan-4-yl)ethanamine

Standard CAS: 1339566-44-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1339566-44-7
Multi CAS
No
Molecular Formula
C7H12F3NO
Molecular Weight
183.170000
Exact Mass
183.087098
SMILES
C1COCCC1C(C(F)(F)F)N
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)6(11)5-1-3-12-4-2-5/h5-6H,1-4,11H2
InChIKey
WCFHFGFGUVXTPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.57
TPSA
35.25

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
1.1
Consensus LogP
1.18
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
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)
-2.91

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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