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CAS 70432-25-6 3-Isoxazolecarboxylicacid,4,5-dihydro-5-oxo-,ethylester(9CI) molecular structure lightbox
CAS RN: 70432-25-6

3-Isoxazolecarboxylicacid,4,5-dihydro-5-oxo-,ethylester(9CI)

  • Product code: SSC-180222
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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 70432-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

70432-25-6 / ethyl 5-oxo-4H-1,2-oxazole-3-carboxylate

Standard CAS: 70432-25-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70432-25-6
Multi CAS
No
Molecular Formula
C6H7NO4
Molecular Weight
157.120000
Exact Mass
157.037508
InChI
InChI=1S/C6H7NO4/c1-2-10-6(9)4-3-5(8)11-7-4/h2-3H2,1H3
InChIKey
AFHIFVBPNXBVQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
34.78
TPSA
64.96

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.14
XLogP3
0.4
Consensus LogP
0.04
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very 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)
-3.78

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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