(2S)-3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

CAS No.：

Cat. No.: SC25916

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Product Name :(2S)-3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Cat. No.: :SC25916

Purity / Specification :—

CAS No. :135673-97-1

MDL No. :MFCD00065614

Molecular Formula :C₂₄H₂₇NO₄

LogP :5.80

Molecular Weight :393.48

TPSA :75.6

Category :API Impurities

HSN Code :—

SMILES Code :O=C(N[C@@H](CC1CCCCC1)C(=O)O)OCC1c2ccccc2-c2ccccc21

Melting Point :—

InChI Key : :HIJAUEZBPWTKIV-QFIPXVFZSA-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✓ 393.5 Da

LogP ≤ 5✗ 5.80

HBD ≤ 5✓ 2

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

66/100

Moderate — typical building block

Predicted LogP

5.80log units

Highly lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 75.6Å² · 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.