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CAS 17231-50-4 3-AMINO-6-CHLOROPYRAZINE-2-CARBONITRILE molecular structure lightbox
CAS RN: 17231-50-4

3-AMINO-6-CHLOROPYRAZINE-2-CARBONITRILE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260627 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-075766
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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: 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 17231-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

17231-50-4 / 3-amino-6-chloropyrazine-2-carbonitrile

Standard CAS: 17231-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17231-50-4
Multi CAS
No
Molecular Formula
C5H3ClN4
Molecular Weight
154.560000
Exact Mass
154.004624
SMILES
C1=C(N=C(C(=N1)N)C#N)Cl
InChI
InChI=1S/C5H3ClN4/c6-4-2-9-5(8)3(1-7)10-4/h2H,(H2,8,9)
InChIKey
OKSPUZDERJZNPO-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
36.17
TPSA
75.59

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
1.1
Consensus LogP
0.73
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.25

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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