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CAS 54223-20-0 1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone molecular structure lightbox
CAS RN: 54223-20-0

1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260404 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260205 100mg In stock Shanghai Inquiry
Batchno.20251213 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-161838
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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 54223-20-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

54223-20-0 / 1-(1,3-benzothiazol-2-yl)-2-bromoethanone

Standard CAS: 54223-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54223-20-0
Multi CAS
No
Molecular Formula
BC9H6ORnS
Molecular Weight
256.120000
Exact Mass
254.935350
InChI
InChI=1S/C9H6BrNOS/c10-5-7(12)9-11-6-3-1-2-4-8(6)13-9/h1-4H,5H2
InChIKey
AYWGYNKWZWBMSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
57.74
TPSA
29.96

LogP / Solubility

WLOGP
2.87
MLOGP
2.54
XLogP3
3.1
Consensus LogP
2.84
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly 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)
-2.24

Drug-likeness / Medicinal Chemistry

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

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