3,4-dichloro-2-nitrophenol

CAS No.：

Cat. No.: SC251045

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Product Name :3,4-dichloro-2-nitrophenol

Cat. No.: :SC251045

Purity / Specification :—

CAS No. :65152-06-9

MDL No. :—

Molecular Formula :C₆H₃Cl₂NO₃

LogP :3.20

Molecular Weight :207.99

TPSA :66.1

Category :Building Blocks

HSN Code :—

SMILES Code :C1=CC(=C(C(=C1O)[N+](=O)[O-])Cl)Cl

Melting Point :—

InChI Key : :AXQJTBIZHUSQNN-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 208.0 Da

LogP ≤ 5✓ 3.20

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

79/100

Good drug-like profile

Predicted LogP

3.20log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 66.1Å² · 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.