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CAS 54558-07-5 6-(2-THIENYL)-3(2H)-PYRIDAZINONE molecular structure lightbox
CAS RN: 54558-07-5

6-(2-THIENYL)-3(2H)-PYRIDAZINONE

  • Product code: SSC-162279
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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 54558-07-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

54558-07-5 / 3-thiophen-2-yl-1H-pyridazin-6-one

Standard CAS: 54558-07-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54558-07-5
Multi CAS
Yes
Molecular Formula
C8H6N2OS
Molecular Weight
178.210000
Exact Mass
178.020084
InChI
InChI=1S/C8H6N2OS/c11-8-4-3-6(9-10-8)7-2-1-5-12-7/h1-5H,(H,10,11)
InChIKey
LBFRUJCPJHRZLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.17
TPSA
45.75

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.3
Consensus LogP
1.37
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.74

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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