6-iodo-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole
CAS No.：
Cat. No.: SC23449
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Product Name :6-iodo-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole
Cat. No.: :SC23449
Purity / Specification :—
CAS No. :886230-77-9
MDL No. :MFCD1240557
Molecular Formula :C19H18IN3O
LogP :4.30
Molecular Weight :431.28
TPSA :39.9
Category :Building Blocks
HSN Code :—
SMILES Code :Ic1ccc2c(/C=C/c3ccccn3)nn(C3CCCCO3)c2c1
Melting Point :—
InChI Key : :QXJFRDDGGSSQDX-CSKARUKUSA-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✓ 431.3 Da
LogP ≤ 5✓ 4.30
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i71/100
Good drug-like profile
Predicted LogP
i4.30log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 39.9Ų · 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.