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CAS 152300-56-6 Methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate molecular structure lightbox
CAS RN: 152300-56-6

Methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250225 10g In stock Shanghai Inquiry
Batchno.20250612 1g In stock Shanghai Inquiry
Batchno.20250621 250mg In stock Shanghai Inquiry
Batchno.20260308 25g In stock Shanghai Inquiry
Batchno.20250811 5g In stock Shanghai Inquiry
  • Product code: SSC-062049
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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: 1g
  • Available purity: ＞97%
  • 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 152300-56-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

152300-56-6 / methyl 4-bromo-1,2,5-thiadiazole-3-carboxylate

Standard CAS: 152300-56-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152300-56-6
Multi CAS
No
Molecular Formula
C4H3BrN2O2S
Molecular Weight
223.050000
Exact Mass
221.909860
SMILES
COC(=O)C1=NSN=C1Br
InChI
InChI=1S/C4H3BrN2O2S/c1-9-4(8)2-3(5)7-10-6-2/h1H3
InChIKey
HJPUHNZGOZGRMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
38.95
TPSA
52.08

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
1.6
Consensus LogP
1.22
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.31

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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