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CAS 125375-25-9 2-Propanone, 1-(4-pyridazinyl)- (9CI) molecular structure lightbox
CAS RN: 125375-25-9

2-Propanone, 1-(4-pyridazinyl)- (9CI)

  • Product code: SSC-030070
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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 125375-25-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

125375-25-9 / 1-pyridazin-4-ylpropan-2-one

Standard CAS: 125375-25-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
125375-25-9
Multi CAS
No
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
SMILES
CC(=O)CC1=CN=NC=C1
InChI
InChI=1S/C7H8N2O/c1-6(10)4-7-2-3-8-9-5-7/h2-3,5H,4H2,1H3
InChIKey
QAKHRNBJPCBSJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
36.42
TPSA
42.85

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
-0.5
Consensus LogP
0.21
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.12

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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