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CAS 1023813-21-9 3,6-Dichloropyrazine-2-carboxaMide molecular structure lightbox
CAS RN: 1023813-21-9

3,6-Dichloropyrazine-2-carboxaMide

  • Product code: SSC-003650
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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: ＞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 1023813-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1023813-21-9 / 3,6-dichloropyrazine-2-carboxamide

3,6-Dichloropyrazine-2-carboxamide | 2-Pyrazinecarboxamide, 3,6-dichloro- | MFCD09881212

Standard CAS: 1023813-21-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1023813-21-9
Multi CAS
Yes
Molecular Formula
C5H3Cl2N3O
Molecular Weight
192.000000
Exact Mass
190.965317
SMILES
C1=C(N=C(C(=N1)Cl)C(=O)N)Cl
InChI
InChI=1S/C5H3Cl2N3O/c6-2-1-9-4(7)3(10-2)5(8)11/h1H,(H2,8,11)
InChIKey
ZEJGTWZTXZLSLR-UHFFFAOYSA-N
Synonyms
3,6-Dichloropyrazine-2-carboxamide 2-Pyrazinecarboxamide, 3,6-dichloro- MFCD09881212 SCHEMBL28099713 DTXSID80652844

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.57
TPSA
68.87

LogP / Solubility

WLOGP
0.88
MLOGP
0.78
XLogP3
0.9
Consensus LogP
0.85
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.26

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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