2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
CAS No.：
Cat. No.: SC251028
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Product Name :2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
Cat. No.: :SC251028
Purity / Specification :—
CAS No. :335371-36-3
MDL No. :—
Molecular Formula :C28H37N3O3
LogP :7.00
Molecular Weight :463.62
TPSA :55.8
Category :API Impurities
HSN Code :—
SMILES Code :CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21
Melting Point :—
InChI Key : :ACCMWZWAEFYUGZ-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✓ 463.6 Da
LogP ≤ 5✗ 7.00
HBD ≤ 5✓ 1
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i58/100
Moderate — typical building block
Predicted LogP
i7.00log units
Highly lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 55.8Ų · 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.