2-amino-3-(2-chloro-4-methylphenyl)propanoic acid
CAS No.：
Cat. No.: SC23499
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Product Name :2-amino-3-(2-chloro-4-methylphenyl)propanoic acid
Cat. No.: :SC23499
Purity / Specification :—
CAS No. :1270310-78-5
MDL No. :MFCD18697988
Molecular Formula :C10H12ClNO2
LogP :-0.40
Molecular Weight :213.66
TPSA :63.3
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1ccc(CC(N)C(=O)O)c(Cl)c1
Melting Point :—
InChI Key : :HYFOYEOZSRIHPU-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✓ 213.7 Da
LogP ≤ 5✓ -0.40
HBD ≤ 5✓ 2
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i65/100
Moderate — typical building block
Predicted LogP
i-0.40log 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.