2,6-dichloro-4-iodoaniline
CAS No.：
Cat. No.: SC24526
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Product Name :2,6-dichloro-4-iodoaniline
Cat. No.: :SC24526
Purity / Specification :—
CAS No. :697-89-2
MDL No. :MFCD01670182
Molecular Formula :C6H4Cl2IN
LogP :3.10
Molecular Weight :287.91
TPSA :26.0
Category :Building Blocks
HSN Code :—
SMILES Code :Nc1c(Cl)cc(I)cc1Cl
Melting Point :—
InChI Key : :IVCYDUGLECLFHS-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✓ 287.9 Da
LogP ≤ 5✓ 3.10
HBD ≤ 5✓ 1
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i81/100
Good drug-like profile
Predicted LogP
i3.10log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 26.0Ų · 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.