(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid

CAS No.：

Cat. No.: SC25906

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Product Name :(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid

Cat. No.: :SC25906

Purity / Specification :—

CAS No. :169555-95-7

MDL No. :MFCD00672566

Molecular Formula :C₂₃H₂₀N₂O₄

LogP :3.60

Molecular Weight :388.42

TPSA :88.5

Category :API Intermediates

HSN Code :—

SMILES Code :O=C(N[C@@H](Cc1ccncc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

Melting Point :—

InChI Key : :SCSSXJVRZMQUKA-NRFANRHFSA-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

✓ PASS

MW ≤ 500 Da✓ 388.4 Da

LogP ≤ 5✓ 3.60

HBD ≤ 5✓ 2

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

80/100

Good drug-like profile

Predicted LogP

3.60log units

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.