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CAS 50632-82-1 3-(trifluoroacetamido)propanoic acid molecular structure lightbox
CAS RN: 50632-82-1

3-(trifluoroacetamido)propanoic acid

  • Product code: SSC-157241
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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 50632-82-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

50632-82-1 / 3-[(2,2,2-trifluoroacetyl)amino]propanoic acid

Standard CAS: 50632-82-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50632-82-1
Multi CAS
Yes
Molecular Formula
C5F3H6NO3
Molecular Weight
185.100000
Exact Mass
185.029978
InChI
InChI=1S/C5H6F3NO3/c6-5(7,8)4(12)9-2-1-3(10)11/h1-2H2,(H,9,12)(H,10,11)
InChIKey
CHQZKOJTYLNXPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
31.32
TPSA
66.4

LogP / Solubility

WLOGP
0.14
MLOGP
0.12
XLogP3
0.2
Consensus LogP
0.15
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-3.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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