2,4,6-trichlorobenzaldehyde
CAS No.：
Cat. No.: SC18062
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Product Name :2,4,6-trichlorobenzaldehyde
Cat. No.: :SC18062
Purity / Specification :—
CAS No. :24473-00-5
MDL No. :MFCD12024961
Molecular Formula :C7H3Cl3O
LogP :3.30
Molecular Weight :209.45
TPSA :17.1
Category :Agrochemicals
HSN Code :—
SMILES Code :O=Cc1c(Cl)cc(Cl)cc1Cl
Melting Point :—
InChI Key : :TWFSYIOOAAYYAL-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✓ 209.4 Da
LogP ≤ 5✓ 3.30
HBD ≤ 5✓ 0
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i65/100
Moderate — typical building block
Predicted LogP
i3.30log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 17.1Ų · 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.