1-cyclopropyl-2-(1-oxo-1,2-dihydro-2,3-benzodisilol-5-ylidene)ethanone
CAS No.：
Cat. No.: SC261731
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Product Name :1-cyclopropyl-2-(1-oxo-1,2-dihydro-2,3-benzodisilol-5-ylidene)ethanone
Cat. No.: :SC261731
Purity / Specification :—
CAS No. :3024622-70-3
MDL No. :—
Molecular Formula :C11H10N4O2
LogP :0.67
Molecular Weight :230.23
TPSA :87.7
Category :Drug Discovery
HSN Code :—
SMILES Code :O=C(Nc1cc2cc[nH]c(=O)c2nn1)C1CC1
Melting Point :—
InChI Key : :FQBHVDOIJCUDEA-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✓ 230.2 Da
LogP ≤ 5✓ 0.67
HBD ≤ 5✓ 2
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i73/100
Good drug-like profile
Predicted LogP
i0.67log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 87.7Ų · 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.