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CAS 15646-46-5 4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE molecular structure lightbox
CAS RN: 15646-46-5

4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260103 1g In stock Shandong Inquiry
Batchno.20250815 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250916 100mg In stock Shanghai Inquiry
Batchno.20250806 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250705 250mg In stock Shanghai Inquiry
Batchno.20260626 25g In stock Shanghai Inquiry
Batchno.20250605 5g In stock Shanghai, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260412 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: SSC-065426
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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: 5g
  • 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 15646-46-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Beijing Inquiry

15646-46-5 / (4Z)-4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one

Standard CAS: 15646-46-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15646-46-5
Multi CAS
No
Molecular Formula
C12H11NO3
Molecular Weight
217.220000
Exact Mass
217.073893
SMILES
CCO/C=C\1/C(=O)OC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
InChIKey
SJHPCNCNNSSLPL-NTMALXAHSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
58.78
TPSA
47.89

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
2.1
Consensus LogP
1.87
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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