![CAS 143556-24-5 sodium 8-amino-5-chloro-1-oxo-7-phenyl-2H-pyrido[3,4-d]pyridazin-4-olate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/143556-24-5.gif)
CAS RN: 143556-24-5
sodium 8-amino-5-chloro-1-oxo-7-phenyl-2H-pyrido[3,4-d]pyridazin-4-olate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250528 | 1mg / 5mg / 10mg / 50mg | Confirm by inquiry | Shanghai, Hebei, Guangdong | Inquiry |
- Product code: starshine_CAS143556-24-5
- Purity/Analytical Methods: >99.0%
143556-24-5 / sodium 8-amino-5-chloro-1-oxo-7-phenyl-2H-pyrido[3,4-d]pyridazin-4-olate
Basic Information
CAS
143556-24-5
Multi CAS
No
Molecular Formula
C13H8ClN4NaO2
Molecular Weight
310.670000
Exact Mass
310.023348
SMILES
C1=CC=C(C=C1)C2=C(C3=C(C(=NNC3=O)[O-])C(=N2)Cl)N.[Na+]
InChI
InChI=1S/C13H9ClN4O2.Na/c14-11-8-7(12(19)17-18-13(8)20)9(15)10(16-11)6-4-2-1-3-5-6;/h1-5H,15H2,(H,17,19)(H,18,20);/q;+1/p-1
InChIKey
IGEUYSJHQQCEFP-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
74.46
TPSA
107.72
LogP / Solubility
WLOGP
-1.7
MLOGP
-1.48
XLogP3
-1.7
Consensus LogP
-1.63
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.39
Class (SILICOS-IT)
Very 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)
-5.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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