(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-phenyl-3-pyridinyl)propanoic acid

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Cat. No.: SC251286

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Product Name :(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-phenyl-3-pyridinyl)propanoic acid

Cat. No.: :SC251286

Purity / Specification :—

CAS No. :2920198-50-9

MDL No. :—

Molecular Formula :C₂₉H₂₄N₂O₄

LogP :5.20

Molecular Weight :464.52

TPSA :88.5

Category :CRO / Contract Research

HSN Code :—

SMILES Code :C1=CC=C(C=C1)C2=NC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Melting Point :—

InChI Key : :LYOLIFJQWDNJIC-MHZLTWQESA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✗ FAIL

MW ≤ 500 Da✓ 464.5 Da

LogP ≤ 5✗ 5.20

HBD ≤ 5✓ 2

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

56/100

Moderate — typical building block

Predicted LogP

5.20log units

Highly lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 88.5Å² · 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.