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CAS 495417-31-7 ethyl 3-(4-methoxyphenyl)-5-methylisoxazole-4-carboxylate molecular structure lightbox
CAS RN: 495417-31-7

ethyl 3-(4-methoxyphenyl)-5-methylisoxazole-4-carboxylate

  • Product code: SSC-155760
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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, 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 495417-31-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

495417-31-7 / ethyl 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate

Standard CAS: 495417-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
495417-31-7
Multi CAS
No
Molecular Formula
C14H15NO4
Molecular Weight
261.270000
Exact Mass
261.100108
InChI
InChI=1S/C14H15NO4/c1-4-18-14(16)12-9(2)19-15-13(12)10-5-7-11(17-3)8-6-10/h5-8H,4H2,1-3H3
InChIKey
MUYXCIVUXOZRPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
69.18
TPSA
61.56

LogP / Solubility

WLOGP
2.84
MLOGP
2.5
XLogP3
2.6
Consensus LogP
2.65
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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