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CAS 259793-90-3 2-PyrazinecarboxaMide, 6-chloro-3,4-dihydro-3-oxo- molecular structure lightbox
CAS RN: 259793-90-3

2-PyrazinecarboxaMide, 6-chloro-3,4-dihydro-3-oxo-

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250621 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260312 1g Out of stock Inquiry
Batchno.20250504 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-122742
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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 259793-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

259793-90-3 / 5-chloro-2-oxo-1H-pyrazine-3-carboxamide

Standard CAS: 259793-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
259793-90-3
Multi CAS
No
Molecular Formula
C5H4ClN3O2
Molecular Weight
173.560000
Exact Mass
172.999204
SMILES
C1=C(N=C(C(=O)N1)C(=O)N)Cl
InChI
InChI=1S/C5H4ClN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)
InChIKey
XERRFWUVFFKJNT-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
38.39
TPSA
88.84

LogP / Solubility

WLOGP
-0.48
MLOGP
-0.42
Consensus LogP
-0.3
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.51
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.12

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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