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CAS 2435-47-4 3,6-diMethylpyrazine-2-carbonitrile molecular structure lightbox
CAS RN: 2435-47-4

3,6-diMethylpyrazine-2-carbonitrile

  • Product code: SSC-118627
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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: 0.25g
  • 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 2435-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

2435-47-4 / 3,6-dimethylpyrazine-2-carbonitrile

Standard CAS: 2435-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2435-47-4
Multi CAS
No
Molecular Formula
C7H7N3
Molecular Weight
133.150000
Exact Mass
133.063997
SMILES
CC1=CN=C(C(=N1)C#N)C
InChI
InChI=1S/C7H7N3/c1-5-4-9-6(2)7(3-8)10-5/h4H,1-2H3
InChIKey
NCKKBZUIFHHRBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
3
Molar refractivity
36.22
TPSA
49.57

LogP / Solubility

WLOGP
0.97
MLOGP
0.84
XLogP3
0.6
Consensus LogP
0.8
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-2.85

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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