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CAS 1260667-67-1 6-BroMo-3-hydroxypyrazine-2-carboxylic acid molecular structure lightbox
CAS RN: 1260667-67-1

6-BroMo-3-hydroxypyrazine-2-carboxylic acid

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250324 100mg In stock Shanghai Inquiry
Batchno.20260411 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250615 1g In stock Shanghai Inquiry
Batchno.20251029 250mg In stock Shanghai Inquiry
Batchno.20251219 5g In stock Shanghai Inquiry
  • Product code: SSC-031846
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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 1260667-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1260667-67-1 / 5-bromo-2-oxo-1H-pyrazine-3-carboxylic acid

Standard CAS: 1260667-67-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260667-67-1
Multi CAS
No
Molecular Formula
C5H3BrN2O3
Molecular Weight
218.990000
Exact Mass
217.932700
SMILES
C1=C(N=C(C(=O)N1)C(=O)O)Br
InChI
InChI=1S/C5H3BrN2O3/c6-2-1-7-4(9)3(8-2)5(10)11/h1H,(H,7,9)(H,10,11)
InChIKey
VMCUQNUHUVHRIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.52
TPSA
83.05

LogP / Solubility

WLOGP
0.23
MLOGP
0.21
XLogP3
0.7
Consensus LogP
0.38
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89

Drug-likeness / Medicinal Chemistry

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

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