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CAS 356783-29-4 Pyrazinecarboxamide, 3,6-difluoro- (9CI) molecular structure lightbox
CAS RN: 356783-29-4

Pyrazinecarboxamide, 3,6-difluoro- (9CI)

  • Product code: SSC-142721
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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 356783-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

356783-29-4 / 3,6-difluoropyrazine-2-carboxamide

Standard CAS: 356783-29-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
356783-29-4
Multi CAS
No
Molecular Formula
C5F2H3N3O
Molecular Weight
159.090000
Exact Mass
159.024418
InChI
InChI=1S/C5H3F2N3O/c6-2-1-9-4(7)3(10-2)5(8)11/h1H,(H2,8,11)
InChIKey
WIQUNYNMYIJSCV-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
1
Molar refractivity
30.47
TPSA
68.87

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.13
XLogP3
-0.1
Consensus LogP
-0.13
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very 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)
-3.79

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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