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CAS 372-31-6 Ethyl 4,4,4-Trifluoroacetoacetate molecular structure lightbox
CAS RN: 372-31-6

Ethyl 4,4,4-Trifluoroacetoacetate

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260105 100g In stock Inquiry
Batchno.20250624 25g In stock Inquiry
  • Product code: SSC-144530
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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: 10g, 25g, 100g, 500g, 1000g
  • 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 372-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 5 In Stock Hong Kong Inquiry
25g ≥95% 5 In Stock Hong Kong Inquiry
100g ≥95% 5 In Stock Shanghai Inquiry
500g ≥95% 5 In Stock Shenzhen Inquiry
1000g ≥95% 3 In Stock Shanghai Inquiry

372-31-6 / ethyl 4,4,4-trifluoro-3-oxobutanoate

Standard CAS: 372-31-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
372-31-6
Multi CAS
Yes
Molecular Formula
C6F3H7O3
Molecular Weight
184.110000
Exact Mass
184.034729
InChI
InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChIKey
OCJKUQIPRNZDTK-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
32.31
TPSA
43.37

LogP / Solubility

WLOGP
1.07
MLOGP
0.94
XLogP3
1.4
Consensus LogP
1.14
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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