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CAS 26518-71-8 6-Acetyl-2H-1,4-benzoxazin-3(4H)-one molecular structure lightbox
CAS RN: 26518-71-8

6-Acetyl-2H-1,4-benzoxazin-3(4H)-one

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250213 100g In stock Inquiry
Batchno.20260320 1g In stock Inquiry
Batchno.20260612 25g In stock Inquiry
Batchno.20250903 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260420 25g Out of stock 8-10 business days Inquiry
Batchno.20260314 5g In stock Shanghai Inquiry
  • Product code: SSC-124465
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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: 25g
  • Available purity: ≥98%
  • 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 26518-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

26518-71-8 / 6-acetyl-4H-1,4-benzoxazin-3-one

Standard CAS: 26518-71-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26518-71-8
Multi CAS
No
Molecular Formula
C10H9NO3
Molecular Weight
191.180000
Exact Mass
191.058243
SMILES
CC(=O)C1=CC2=C(C=C1)OCC(=O)N2
InChI
InChI=1S/C10H9NO3/c1-6(12)7-2-3-9-8(4-7)11-10(13)5-14-9/h2-4H,5H2,1H3,(H,11,13)
InChIKey
BKJFWHFUERNXLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.57
TPSA
55.4

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
0.6
Consensus LogP
0.96
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.02

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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