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CAS 392-58-5 Fluorooxaloacetic acid diethyl ester molecular structure lightbox
CAS RN: 392-58-5

Fluorooxaloacetic acid diethyl ester

  • Product code: SSC-146854
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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 392-58-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

392-58-5 / diethyl 2-fluoro-3-oxobutanedioate

Standard CAS: 392-58-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
392-58-5
Multi CAS
Yes
Molecular Formula
C8FH11O5
Molecular Weight
206.170000
Exact Mass
206.059052
InChI
InChI=1S/C8H11FO5/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5H,3-4H2,1-2H3
InChIKey
GYHGUBASZJMZAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
43.17
TPSA
69.67

LogP / Solubility

WLOGP
0.02
MLOGP
0.02
XLogP3
1.2
Consensus LogP
0.41
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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