Tert-butyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-iodopropanoate

CAS No.：

Cat. No.: SC251285

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Product Name :Tert-butyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-iodopropanoate

Cat. No.: :SC251285

Purity / Specification :—

CAS No. :282734-33-2

MDL No. :—

Molecular Formula :C₂₂H₂₄INO₄

LogP :5.10

Molecular Weight :493.34

TPSA :64.6

Category :CRO / Contract Research

HSN Code :—

SMILES Code :CC(C)(C)OC(=O)[C@H](CI)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Melting Point :—

InChI Key : :WFECRYMZJXNQQC-IBGZPJMESA-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✓ 493.3 Da

LogP ≤ 5✗ 5.10

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

57/100

Moderate — typical building block

Predicted LogP

5.10log units

Highly lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 64.6Å² · 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.