Piyusha
CAS No.：
Cat. No.: SC261808
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Product Name :Piyusha
Cat. No.: :SC261808
Purity / Specification :—
CAS No. :953071-73-3
MDL No. :MFCD20485688
Molecular Formula :C17H23N3O2
LogP :2.90
Molecular Weight :301.39
TPSA :58.2
Category :API Intermediates
HSN Code :—
SMILES Code :CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
Melting Point :—
InChI Key : :KDZVWRLDUPCQJD-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✓ 301.4 Da
LogP ≤ 5✓ 2.90
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i94/100
Excellent drug-like profile
Predicted LogP
i2.90log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 58.2Ų · 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.