1,3,5-trichloro-2-ethenylbenzene
CAS No.：
Cat. No.: SC19065
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Product Name :1,3,5-trichloro-2-ethenylbenzene
Cat. No.: :SC19065
Purity / Specification :—
CAS No. :15270-64-1
MDL No. :MFCD32632557
Molecular Formula :C8H5Cl3
LogP :4.60
Molecular Weight :207.48
TPSA :0.0
Category :Building Blocks
HSN Code :—
SMILES Code :C=Cc1c(Cl)cc(Cl)cc1Cl
Melting Point :—
InChI Key : :TXFONIGDXLPYOB-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✓ 207.5 Da
LogP ≤ 5✓ 4.60
HBD ≤ 5✓ 0
HBA ≤ 10✓ 0
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i44/100
Fragment / low drug-likeness
Predicted LogP
i4.60log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 0.0Ų · 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.