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CAS 25513-93-3 2-PYRAZINECARBOXALDEHYDE, 3-METHYL- molecular structure lightbox
CAS RN: 25513-93-3

2-PYRAZINECARBOXALDEHYDE, 3-METHYL-

  • Product code: SSC-121565
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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 25513-93-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

25513-93-3 / 3-methylpyrazine-2-carbaldehyde

Standard CAS: 25513-93-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25513-93-3
Multi CAS
No
Molecular Formula
C6H6N2O
Molecular Weight
122.120000
Exact Mass
122.048013
InChI
InChI=1S/C6H6N2O/c1-5-6(4-9)8-3-2-7-5/h2-4H,1H3
InChIKey
NLLAFZNIRAPTBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
32.16
TPSA
42.85

LogP / Solubility

WLOGP
0.6
MLOGP
0.52
Consensus LogP
0.37
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.07
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)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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