2-(4,6-dichloro-3-pyridinyl)propan-2-ol

CAS No.：

Cat. No.: SC25991

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Product Name :2-(4,6-dichloro-3-pyridinyl)propan-2-ol

Cat. No.: :SC25991

Purity / Specification :—

CAS No. :1801335-00-1

MDL No. :MFCD2840061

Molecular Formula :C₈H₉Cl₂NO

LogP :2.10

Molecular Weight :206.07

TPSA :33.1

Category :Building Blocks

HSN Code :—

SMILES Code :CC(C)(C1=CN=C(C=C1Cl)Cl)O

Melting Point :—

InChI Key : :GTKLTAYQGIKYTN-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✓ 206.1 Da

LogP ≤ 5✓ 2.10

HBD ≤ 5✓ 1

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

73/100

Good drug-like profile

Predicted LogP

2.10log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 33.1Å² · 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.