CAS RN: 13826-64-7
Angeli’s Salt
Product Availability
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2 package records1 with current stock
- Product code: starshine_CAS13826-64-7
- Purity/Analytical Methods: >99.0%
13826-64-7 / disodium;N,N-dioxidonitrous amide
Basic Information
CAS
13826-64-7
Multi CAS
No
Molecular Formula
N2Na2O3
Molecular Weight
121.991000
Exact Mass
121.970430
SMILES
N(=O)N([O-])[O-].[Na+].[Na+]
InChI
InChI=1S/N2O3.2Na/c3-1-2(4)5;;/q-2;2*+1
InChIKey
MOTMGLITKDYJPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
14.37
TPSA
78.79
LogP / Solubility
WLOGP
-6.03
MLOGP
-5.31
XLogP3
-6.03
Consensus LogP
-5.79
Log S (ESOL)
3.27
Class (ESOL)
Highly soluble
Log S (Ali)
3.79
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.43
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)
-7.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
