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CAS 453-34-9 4,4,4-TRIFLUORO-3-HYDROXYBUTYRAMIDE molecular structure lightbox
CAS RN: 453-34-9

4,4,4-TRIFLUORO-3-HYDROXYBUTYRAMIDE

  • Product code: SSC-153073
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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, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 453-34-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

453-34-9 / 4,4,4-trifluoro-3-hydroxybutanamide

Standard CAS: 453-34-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
453-34-9
Multi CAS
Yes
Molecular Formula
C4F3H6NO2
Molecular Weight
157.090000
Exact Mass
157.035063
InChI
InChI=1S/C4H6F3NO2/c5-4(6,7)2(9)1-3(8)10/h2,9H,1H2,(H2,8,10)
InChIKey
BISBCYIQXZYLBB-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
25.87
TPSA
63.32

LogP / Solubility

WLOGP
-0.21
MLOGP
-0.19
XLogP3
-0.4
Consensus LogP
-0.27
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very 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)
-3.83

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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