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CAS 54593-26-9 3,5-Dimethylisoxazole-4-carboxaldehyde molecular structure lightbox
CAS RN: 54593-26-9

3,5-Dimethylisoxazole-4-carboxaldehyde

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260224 100g In stock Shanghai Inquiry
Batchno.20260120 10g In stock Shanghai Inquiry
Batchno.20250723 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260612 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batchno.20260126 25g In stock Shanghai Inquiry
Batchno.20250523 5g In stock Shanghai Inquiry
  • Product code: SSC-162318
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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, 5g, 10g, 25g
  • Available purity: ≥97%
  • 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 54593-26-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

54593-26-9 / 3,5-dimethyl-1,2-oxazole-4-carbaldehyde

Standard CAS: 54593-26-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54593-26-9
Multi CAS
Yes
Molecular Formula
C6H7NO2
Molecular Weight
125.130000
Exact Mass
125.047678
InChI
InChI=1S/C6H7NO2/c1-4-6(3-8)5(2)9-7-4/h3H,1-2H3
InChIKey
TVAYXKLCEILMEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
31.36
TPSA
43.1

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
0.6
Consensus LogP
0.89
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-2.7

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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