1-[2-(2-chlorophenyl)ethylsulfonyl]-2,3-dihydroindole-2-carboxylic acid
CAS No.：
Cat. No.: SC251093
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Product Name :1-[2-(2-chlorophenyl)ethylsulfonyl]-2,3-dihydroindole-2-carboxylic acid
Cat. No.: :SC251093
Purity / Specification :—
CAS No. :2248267-81-2
MDL No. :—
Molecular Formula :C17H16ClNO4S
LogP :3.30
Molecular Weight :365.83
TPSA :83.1
Category :CRO / Contract Research
HSN Code :—
SMILES Code :O=C(O)C1Cc2ccccc2N1S(=O)(=O)CCc1ccccc1Cl
Melting Point :—
InChI Key : :QOSRRFMIYIAPOV-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✓ 365.8 Da
LogP ≤ 5✓ 3.30
HBD ≤ 5✓ 1
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i89/100
Excellent drug-like profile
Predicted LogP
i3.30log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 83.1Ų · 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.