2-amino-2-fluoro-3-[iodo(methyl)methylidene]propanoic acid
CAS No.：
Cat. No.: SC23229
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Product Name :2-amino-2-fluoro-3-[iodo(methyl)methylidene]propanoic acid
Cat. No.: :SC23229
Purity / Specification :—
CAS No. :1846567-78-9
MDL No. :—
Molecular Formula :C8H7FINO2
LogP :2.02
Molecular Weight :295.05
TPSA :63.3
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1cc(I)c(F)c(C(=O)O)c1N
Melting Point :—
InChI Key : :PYASJQXTCOHROL-UHFFFAOYSA-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✓ 295.1 Da
LogP ≤ 5✓ 2.02
HBD ≤ 5✓ 2
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i92/100
Excellent drug-like profile
Predicted LogP
i2.02log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 63.3Ų · 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.