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CAS 57674-20-1 2-chloro-3-(1-methylethyl)pyrazine molecular structure lightbox
CAS RN: 57674-20-1

2-chloro-3-(1-methylethyl)pyrazine

  • Product code: SSC-165844
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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 57674-20-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

57674-20-1 / 2-chloro-3-propan-2-ylpyrazine

Standard CAS: 57674-20-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57674-20-1
Multi CAS
Yes
Molecular Formula
C7H9CLN2
Molecular Weight
156.610000
Exact Mass
156.045426
InChI
InChI=1S/C7H9ClN2/c1-5(2)6-7(8)10-4-3-9-6/h3-5H,1-2H3
InChIKey
BMSLPKADYHPKFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.13
TPSA
25.78

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
1.9
Consensus LogP
2.04
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-2.08

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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