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CAS 40227-17-6 5,6-DIMETHYL-2,3-PYRAZINEDICARBONITRILE molecular structure lightbox
CAS RN: 40227-17-6

5,6-DIMETHYL-2,3-PYRAZINEDICARBONITRILE

  • Product code: SSC-148295
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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: ＞97%
  • 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 40227-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

40227-17-6 / 5,6-dimethylpyrazine-2,3-dicarbonitrile

Standard CAS: 40227-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40227-17-6
Multi CAS
No
Molecular Formula
C8H6N4
Molecular Weight
158.160000
Exact Mass
158.059246
InChI
InChI=1S/C8H6N4/c1-5-6(2)12-8(4-10)7(3-9)11-5/h1-2H3
InChIKey
VPRRXMCIOHZBCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
4
Molar refractivity
40.94
TPSA
73.36

LogP / Solubility

WLOGP
0.84
MLOGP
0.73
XLogP3
1
Consensus LogP
0.86
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.09

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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