4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol
CAS No.：
Cat. No.: SC251586
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Product Name :4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol
Cat. No.: :SC251586
Purity / Specification :—
CAS No. :475086-75-0
MDL No. :—
Molecular Formula :C23H27N3O
LogP :4.40
Molecular Weight :361.49
TPSA :49.3
Category :API Impurities
HSN Code :—
SMILES Code :CC(C)N(CCCCO)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3
Melting Point :—
InChI Key : :PKBSUZWFQXNCSI-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✓ 361.5 Da
LogP ≤ 5✓ 4.40
HBD ≤ 5✓ 1
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i73/100
Good drug-like profile
Predicted LogP
i4.40log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 49.3Ų · 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.