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CAS 344-00-3 ETHYL 2-METHYL-4,4,4-TRIFLUOROACETOACETATE molecular structure lightbox
CAS RN: 344-00-3

ETHYL 2-METHYL-4,4,4-TRIFLUOROACETOACETATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260319 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-140809
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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, 5g, 10g, 100g, 25g
  • Available purity: >96%
  • 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 344-00-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >96% 5 In Stock Shanghai Inquiry
5g >96% 5 In Stock Shenzhen Inquiry
10g >96% 5 In Stock Shenzhen Inquiry
100g >96% 4 In Stock Hong Kong Inquiry
25g >96% 3 In Stock Beijing Inquiry

344-00-3 / ethyl 4,4,4-trifluoro-2-methyl-3-oxobutanoate

Standard CAS: 344-00-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
344-00-3
Multi CAS
No
Molecular Formula
C7F3H9O3
Molecular Weight
198.140000
Exact Mass
198.050379
InChI
InChI=1S/C7H9F3O3/c1-3-13-6(12)4(2)5(11)7(8,9)10/h4H,3H2,1-2H3
InChIKey
YLRGPBKEZVHOAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
36.86
TPSA
43.37

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
2
Consensus LogP
1.49
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-2.99

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
2

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