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CAS 17231-51-5 3-AMINO-6-BROMOPYRAZINE-2-CARBONITRILE molecular structure lightbox
CAS RN: 17231-51-5

3-AMINO-6-BROMOPYRAZINE-2-CARBONITRILE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260129 1g In stock Shanghai Inquiry
  • Product code: SSC-075767
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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, 5g, 10g
  • 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 17231-51-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

17231-51-5 / 3-amino-6-bromopyrazine-2-carbonitrile

Standard CAS: 17231-51-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17231-51-5
Multi CAS
No
Molecular Formula
C5H3BrN4
Molecular Weight
199.010000
Exact Mass
197.954110
SMILES
C1=C(N=C(C(=N1)N)C#N)Br
InChI
InChI=1S/C5H3BrN4/c6-4-2-9-5(8)3(1-7)10-4/h2H,(H2,8,9)
InChIKey
XXCFWGIRIFRPER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.86
TPSA
75.59

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
1.1
Consensus LogP
0.8
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.44

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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