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CAS 111454-71-8 3-Bromoisoxazole molecular structure lightbox
CAS RN: 111454-71-8

3-Bromoisoxazole

Product Availability

Choose a grade to view its available package options.

11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260515 100mg In stock Inquiry
Batchno.20260415 1g In stock Inquiry
Batchno.20260405 250mg In stock Inquiry
Batchno.20250527 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250328 100g In stock Shanghai Inquiry
Batchno.20260405 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250807 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20251016 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250709 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250402 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250116 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-012153
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 5g, 10g, 25g, 0.1g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 111454-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
10g >95% 2 In Stock Shenzhen Inquiry
25g >95% 2 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

111454-71-8 / 3-bromo-1,2-oxazole

3-Bromo-1,2-oxazole | DTXSID00552852 | RefChem:498135

Standard CAS: 111454-71-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111454-71-8
Multi CAS
No
Molecular Formula
C3H2BrNO
Molecular Weight
147.960000
Exact Mass
146.931980
SMILES
C1=CON=C1Br
InChI
InChI=1S/C3H2BrNO/c4-3-1-2-6-5-3/h1-2H
InChIKey
GQMPHUXGZCDVGQ-UHFFFAOYSA-N
Synonyms
3-Bromo-1,2-oxazole DTXSID00552852 RefChem:498135 DTXCID30503635 808-475-3

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
2
Molar refractivity
24.2
TPSA
26.03

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
1.4
Consensus LogP
1.37
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.6

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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