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CAS 227184-02-3 ETHYL 4-FLUORO-3-OXOPENTANOATE molecular structure lightbox
CAS RN: 227184-02-3

ETHYL 4-FLUORO-3-OXOPENTANOATE

  • Product code: SSC-110795
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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 227184-02-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

227184-02-3 / ethyl 4-fluoro-3-oxopentanoate

Standard CAS: 227184-02-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
227184-02-3
Multi CAS
No
Molecular Formula
C7H11FO3
Molecular Weight
162.160000
Exact Mass
162.069222
SMILES
CCOC(=O)CC(=O)C(C)F
InChI
InChI=1S/C7H11FO3/c1-3-11-7(10)4-6(9)5(2)8/h5H,3-4H2,1-2H3
InChIKey
MSCSCKJODSCXBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
36.83
TPSA
43.37

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
1
Consensus LogP
0.88
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-3.09

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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