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CAS 25741-97-3 Isoxazole, 3-bromo-5-methyl- (6CI,7CI,8CI,9CI) molecular structure lightbox
CAS RN: 25741-97-3

Isoxazole, 3-bromo-5-methyl- (6CI,7CI,8CI,9CI)

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250912 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20260331 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250119 250mg In stock Shanghai Inquiry
Batchno.20260104 5g In stock Shanghai Inquiry
  • Product code: SSC-122227
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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: 0.1g, 0.25g, 1g, 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 25741-97-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

25741-97-3 / 3-bromo-5-methyl-1,2-oxazole

Standard CAS: 25741-97-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25741-97-3
Multi CAS
No
Molecular Formula
C4H4BrNO
Molecular Weight
161.980000
Exact Mass
160.947630
SMILES
CC1=CC(=NO1)Br
InChI
InChI=1S/C4H4BrNO/c1-3-2-4(5)6-7-3/h2H,1H3
InChIKey
ICLAWFDDNFPOFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
28.94
TPSA
26.03

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.47

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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