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CAS 121246-90-0 1-(3-CHLOROPYRAZIN-2-YL)ETHANONE molecular structure lightbox
CAS RN: 121246-90-0

1-(3-CHLOROPYRAZIN-2-YL)ETHANONE

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260120 100g In stock Shanghai Inquiry
Batchno.20251014 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260521 10g In stock Shanghai Inquiry
Batchno.20260521 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260430 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20250921 25g In stock Shanghai, Chengdu Inquiry
Batchno.20251214 5g In stock Shanghai Inquiry
  • Product code: SSC-023055
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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 121246-90-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

121246-90-0 / 1-(3-chloropyrazin-2-yl)ethanone

1-(3-Chloropyrazin-2-yl)ethanone | RefChem:423723 | 851-603-8

Standard CAS: 121246-90-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121246-90-0
Multi CAS
No
Molecular Formula
C6H5ClN2O
Molecular Weight
156.570000
Exact Mass
156.009041
SMILES
CC(=O)C1=NC=CN=C1Cl
InChI
InChI=1S/C6H5ClN2O/c1-4(10)5-6(7)9-3-2-8-5/h2-3H,1H3
InChIKey
LMFLUWCATJHPFJ-UHFFFAOYSA-N
Synonyms
1-(3-Chloropyrazin-2-yl)ethanone RefChem:423723 851-603-8 3-Acetyl-2-chloropyrazine 1-(3-CHLOROPYRAZIN-2-YL)ETHAN-1-ONE

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.05
TPSA
42.85

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
0.8
Consensus LogP
1.1
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-2.73

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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