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CAS 23787-80-6 2-Acetyl-3-methylpyrazine molecular structure lightbox
CAS RN: 23787-80-6

2-Acetyl-3-methylpyrazine

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250525 1g In stock Shandong Inquiry
Batchno.20250616 25g Out of stock 8-10 business days Inquiry
Batchno.20251112 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-115820
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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: 10g
  • 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 23787-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

23787-80-6 / 1-(3-methylpyrazin-2-yl)ethanone

Standard CAS: 23787-80-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
23787-80-6
Multi CAS
No
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
SMILES
CC1=NC=CN=C1C(=O)C
InChI
InChI=1S/C7H8N2O/c1-5-7(6(2)10)9-4-3-8-5/h3-4H,1-2H3
InChIKey
QUNOTZOHYZZWKQ-UHFFFAOYSA-N

Physical Properties

Boiling Point
265.00 to 266.00 °C. @ 760.00 mm Hg
Density
1.105-1.114
Physical Description
Liquid colourless to light yellow liquid with a nutty, roasted grain, baked potato odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
36.77
TPSA
42.85

LogP / Solubility

WLOGP
0.99
MLOGP
0.86
XLogP3
0.2
Consensus LogP
0.68
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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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