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CAS 152538-73-3 (2,2,2-Trifluoroethoxy)difluoroacetic Acid molecular structure lightbox
CAS RN: 152538-73-3

(2,2,2-Trifluoroethoxy)difluoroacetic Acid

  • Product code: SSC-062329
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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: 1g, 0.25g, 0.1g, 5g
  • 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 152538-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

152538-73-3 / 2,2-difluoro-2-(2,2,2-trifluoroethoxy)acetic acid

Standard CAS: 152538-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152538-73-3
Multi CAS
No
Molecular Formula
C4H3F5O3
Molecular Weight
194.060000
Exact Mass
194.000235
SMILES
C(C(F)(F)F)OC(C(=O)O)(F)F
InChI
InChI=1S/C4H3F5O3/c5-3(6,7)1-12-4(8,9)2(10)11/h1H2,(H,10,11)
InChIKey
CAARWBUMOXMZKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
24.59
TPSA
46.53

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1.5
Consensus LogP
1.28
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-3.02

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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