2,6-bis(phenylmethoxy)pyridine
CAS No.：
Cat. No.: SC251395
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Product Name :2,6-bis(phenylmethoxy)pyridine
Cat. No.: :SC251395
Purity / Specification :—
CAS No. :16727-46-1
MDL No. :—
Molecular Formula :C19H17NO2
LogP :4.40
Molecular Weight :291.35
TPSA :31.4
Category :CRO / Contract Research
HSN Code :—
SMILES Code :c1ccc(COc2cccc(OCc3ccccc3)n2)cc1
Melting Point :—
InChI Key : :IREZYNKPQCIUME-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✓ 291.4 Da
LogP ≤ 5✓ 4.40
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i70/100
Good drug-like profile
Predicted LogP
i4.40log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 31.4Ų · 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.