1-[dimethoxy(oxido)-lambda5-phosphanylidene]-2-oxopropane-1-diazonium
CAS No.：
Cat. No.: SC251291
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Product Name :1-[dimethoxy(oxido)-lambda5-phosphanylidene]-2-oxopropane-1-diazonium
Cat. No.: :SC251291
Purity / Specification :—
CAS No. :90965-06-3
MDL No. :—
Molecular Formula :C5H9N2O4P
LogP :-0.50
Molecular Weight :192.11
TPSA :86.7
Category :CRO / Contract Research
HSN Code :—
SMILES Code :CC(=O)C(=P([O-])(OC)OC)[N+]#N
Melting Point :—
InChI Key : :SQHSJJGGWYIFCD-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 192.1 Da
LogP ≤ 5✓ -0.50
HBD ≤ 5✓ 0
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i62/100
Moderate — typical building block
Predicted LogP
i-0.50log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 86.7Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.