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CAS 1196157-03-5 2-chloro-6-ethynylpyrazine molecular structure lightbox
CAS RN: 1196157-03-5

2-chloro-6-ethynylpyrazine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260301 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-020292
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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: 0.25g
  • 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 1196157-03-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1196157-03-5 / 2-chloro-6-ethynylpyrazine

2-chloro-6-ethynylpyrazine | 2-chloro-6-ethynyl-pyrazine | SCHEMBL376303

Standard CAS: 1196157-03-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196157-03-5
Multi CAS
No
Molecular Formula
C6H3ClN2
Molecular Weight
138.550000
Exact Mass
137.998476
SMILES
C#CC1=CN=CC(=N1)Cl
InChI
InChI=1S/C6H3ClN2/c1-2-5-3-8-4-6(7)9-5/h1,3-4H
InChIKey
ZEJMUDGIKILGGE-UHFFFAOYSA-N
Synonyms
2-chloro-6-ethynylpyrazine 2-chloro-6-ethynyl-pyrazine SCHEMBL376303 DTXSID10729078 MFCD13189806

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.98
TPSA
25.78

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
0.9
Consensus LogP
0.99
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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