Prop-2-enyl (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;hydrochloride
CAS No.：
Cat. No.: SC25956
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Product Name :Prop-2-enyl (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;hydrochloride
Cat. No.: :SC25956
Purity / Specification :—
CAS No. :815619-80-8
MDL No. :MFCD0827450
Molecular Formula :C24H29ClN2O4
LogP :4.17
Molecular Weight :444.96
TPSA :90.7
Category :Building Blocks
HSN Code :—
SMILES Code :C=CCOC(=O)[C@H](CCCCN)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.Cl
Melting Point :—
InChI Key : :IBCYYPRTIQUQJP-FTBISJDPSA-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✓ 445.0 Da
LogP ≤ 5✓ 4.17
HBD ≤ 5✓ 3
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i62/100
Moderate — typical building block
Predicted LogP
i4.17log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 90.7Ų · 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.