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CAS 382-43-4 3-HYDROXY-2-TRIFLUOROMETHYLPROPIONIC ACID molecular structure lightbox
CAS RN: 382-43-4

3-HYDROXY-2-TRIFLUOROMETHYLPROPIONIC ACID

  • Product code: SSC-145729
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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, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 382-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Shanghai Inquiry

382-43-4 / 3,3,3-trifluoro-2-(hydroxymethyl)propanoic acid

Standard CAS: 382-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
382-43-4
Multi CAS
No
Molecular Formula
C4F3H5O3
Molecular Weight
158.080000
Exact Mass
158.019079
InChI
InChI=1S/C4H5F3O3/c5-4(6,7)2(1-8)3(9)10/h2,8H,1H2,(H,9,10)
InChIKey
PKKMMANRRSONBS-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
24.27
TPSA
57.53

LogP / Solubility

WLOGP
0.24
MLOGP
0.21
XLogP3
0.2
Consensus LogP
0.22
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
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)
-3.51

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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