6-bromonaphthalen-1-ol
CAS No.：
Cat. No.: SC18024
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Product Name :6-bromonaphthalen-1-ol
Cat. No.: :SC18024
Purity / Specification :—
CAS No. :91270-68-7
MDL No. :MFCD15528811
Molecular Formula :C10H7BrO
LogP :4.40
Molecular Weight :223.07
TPSA :20.2
Category :CDMO
HSN Code :—
SMILES Code :Oc1cccc2cc(Br)ccc12
Melting Point :—
InChI Key : :FSUYQOYAPVYVHS-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✓ 223.1 Da
LogP ≤ 5✓ 4.40
HBD ≤ 5✓ 1
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i54/100
Fragment / low drug-likeness
Predicted LogP
i4.40log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 20.2Ų · 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.