2-(2-anilinophenyl)acetic acid, ≥98.53%
CAS No.：
Cat. No.: SC23351
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Product Name :2-(2-anilinophenyl)acetic acid
Cat. No.: :SC23351
Purity / Specification :≥98.53%
CAS No. :70172-33-7
MDL No. :MFCD0326544
Molecular Formula :C14H13NO2
LogP :3.50
Molecular Weight :227.26
TPSA :49.3
Category :Scalable Synthesis
HSN Code :—
SMILES Code :O=C(O)Cc1ccccc1Nc1ccccc1
Melting Point :—
InChI Key : :NJFCAWNKWPIBAG-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✓ 227.3 Da
LogP ≤ 5✓ 3.50
HBD ≤ 5✓ 2
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i73/100
Good drug-like profile
Predicted LogP
i3.50log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 49.3Ų · 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.