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CAS 37829-38-2 ethyl 3-phenyl-1,4,2-dioxazole-5-carboxylate molecular structure lightbox
CAS RN: 37829-38-2

ethyl 3-phenyl-1,4,2-dioxazole-5-carboxylate

  • Product code: SSC-145276
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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 37829-38-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

37829-38-2 / ethyl 3-phenyl-1,4,2-dioxazole-5-carboxylate

Standard CAS: 37829-38-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37829-38-2
Multi CAS
No
Molecular Formula
C11H11NO4
Molecular Weight
221.210000
Exact Mass
221.068808
InChI
InChI=1S/C11H11NO4/c1-2-14-10(13)11-15-9(12-16-11)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3
InChIKey
RWSNSCBMVRAXBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
55.57
TPSA
57.12

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
2.3
Consensus LogP
1.57
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-3.16

Drug-likeness / Medicinal Chemistry

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

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