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CAS 57229-36-4 5,6-Dimethylpyrazin-2(1H)-one molecular structure lightbox
CAS RN: 57229-36-4

5,6-Dimethylpyrazin-2(1H)-one

  • Product code: SSC-165320
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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: 5g
  • 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 57229-36-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

57229-36-4 / 5,6-dimethyl-1H-pyrazin-2-one

Standard CAS: 57229-36-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57229-36-4
Multi CAS
Yes
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
InChI
InChI=1S/C6H8N2O/c1-4-5(2)8-6(9)3-7-4/h3H,1-2H3,(H,8,9)
InChIKey
QPHGZSXJSJIEQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.33
TPSA
45.75

LogP / Solubility

WLOGP
0.39
MLOGP
0.33
Consensus LogP
0.24
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
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)
-3.2

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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