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CAS 799257-45-7 Ethyl 5-methyl-1,2,3-oxadiazole-4-carboxylate molecular structure lightbox
CAS RN: 799257-45-7

Ethyl 5-methyl-1,2,3-oxadiazole-4-carboxylate

  • Product code: SSC-188930
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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: 0.25g
  • 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 799257-45-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

799257-45-7 / ethyl 5-methyloxadiazole-4-carboxylate

Standard CAS: 799257-45-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
799257-45-7
Multi CAS
No
Molecular Formula
C6H8N2O3
Molecular Weight
156.140000
Exact Mass
156.053492
InChI
InChI=1S/C6H8N2O3/c1-3-10-6(9)5-4(2)11-8-7-5/h3H2,1-2H3
InChIKey
KPJLWOOFVUSJIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
34.99
TPSA
65.22

LogP / Solubility

WLOGP
0.55
MLOGP
0.48
XLogP3
0.8
Consensus LogP
0.61
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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
Leadlikeness
No
Synthetic Accessibility
1.5

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