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CAS 1523571-92-7 sodium 2-(pyridazin-4-yl)acetate molecular structure lightbox
CAS RN: 1523571-92-7

sodium 2-(pyridazin-4-yl)acetate

  • Product code: SSC-062172
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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 1523571-92-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1523571-92-7 / sodium 2-pyridazin-4-ylacetate

Standard CAS: 1523571-92-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1523571-92-7
Multi CAS
No
Molecular Formula
C6H5N2NaO2
Molecular Weight
160.110000
Exact Mass
160.024872
SMILES
C1=CN=NC=C1CC(=O)[O-].[Na+]
InChI
InChI=1S/C6H6N2O2.Na/c9-6(10)3-5-1-2-7-8-4-5;/h1-2,4H,3H2,(H,9,10);/q;+1/p-1
InChIKey
HUFSTXGKNYDRMS-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
30.74
TPSA
65.91

LogP / Solubility

WLOGP
-4.23
MLOGP
-3.72
XLogP3
-4.23
Consensus LogP
-4.06
Log S (ESOL)
1.56
Class (ESOL)
Highly soluble
Log S (Ali)
2.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.57
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.7

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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