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CAS 372-37-2 ethylg-fluoroacetoacetate molecular structure lightbox
CAS RN: 372-37-2

ethylg-fluoroacetoacetate

  • Product code: SSC-144531
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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: ≥95%
  • 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 372-37-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

372-37-2 / ethyl 4-fluoro-3-oxobutanoate

Standard CAS: 372-37-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
372-37-2
Multi CAS
No
Molecular Formula
C6FH9O3
Molecular Weight
148.130000
Exact Mass
148.053572
InChI
InChI=1S/C6H9FO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3
InChIKey
KQBYNGJTZNCQCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
32.23
TPSA
43.37

LogP / Solubility

WLOGP
0.48
MLOGP
0.41
XLogP3
0.6
Consensus LogP
0.5
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.28

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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