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CAS 1122-63-0 Ethanone, 1-(3-pyridazinyl)- (9CI) molecular structure lightbox
CAS RN: 1122-63-0

Ethanone, 1-(3-pyridazinyl)- (9CI)

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260127 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250724 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260531 1g In stock Tianjin, Chengdu Inquiry
Batchno.20250308 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260422 5g Out of stock Inquiry
  • Product code: SSC-012671
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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 1122-63-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1122-63-0 / 1-pyridazin-3-ylethanone

1-(pyridazin-3-yl)ethan-1-one | RefChem:428499 | 848-248-6

Standard CAS: 1122-63-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1122-63-0
Multi CAS
No
Molecular Formula
C6H6N2O
Molecular Weight
122.120000
Exact Mass
122.048013
SMILES
CC(=O)C1=NN=CC=C1
InChI
InChI=1S/C6H6N2O/c1-5(9)6-3-2-4-7-8-6/h2-4H,1H3
InChIKey
FTSKLNSVINAQGJ-UHFFFAOYSA-N
Synonyms
1-(pyridazin-3-yl)ethan-1-one RefChem:428499 848-248-6 1-(Pyridazin-3-yl)ethanone 3-Acetylpyridazine

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
32.04
TPSA
42.85

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
-0.1
Consensus LogP
0.39
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-2.98

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
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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