2-amino-2-(2-fluoro-4-methylphenyl)acetic acid
CAS No.：
Cat. No.: SC23269
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Product Name :2-amino-2-(2-fluoro-4-methylphenyl)acetic acid
Cat. No.: :SC23269
Purity / Specification :—
CAS No. :1039118-67-6
MDL No. :MFCD04116045
Molecular Formula :C9H10FNO2
LogP :-1.20
Molecular Weight :183.18
TPSA :63.3
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1ccc(C(N)C(=O)O)c(F)c1
Melting Point :—
InChI Key : :QUQKTQJPLKRTBB-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✓ 183.2 Da
LogP ≤ 5✓ -1.20
HBD ≤ 5✓ 2
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i56/100
Moderate — typical building block
Predicted LogP
i-1.20log units
Hydrophilic
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.