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CAS 584-20-3 3-AMINO-4,4,4-TRIFLUOROBUTYRIC ACID molecular structure lightbox
CAS RN: 584-20-3

3-AMINO-4,4,4-TRIFLUOROBUTYRIC ACID

  • Product code: SSC-166633
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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: ≥97%
  • 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 584-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

584-20-3 / 3-amino-4,4,4-trifluorobutanoic acid

Standard CAS: 584-20-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
584-20-3
Multi CAS
Yes
Molecular Formula
C4F3H6NO2
Molecular Weight
157.090000
Exact Mass
157.035063
InChI
InChI=1S/C4H6F3NO2/c5-4(6,7)2(8)1-3(9)10/h2H,1,8H2,(H,9,10)
InChIKey
XRXQOEWWPPJVII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.28
TPSA
63.32

LogP / Solubility

WLOGP
0.35
MLOGP
0.3
XLogP3
-2.3
Consensus LogP
-0.55
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
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)
-3.43

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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