1-benzothiophen-7-ol
CAS No.：
Cat. No.: SC24540
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Product Name :1-benzothiophen-7-ol
Cat. No.: :SC24540
Purity / Specification :—
CAS No. :77898-35-2
MDL No. :MFCD1845160
Molecular Formula :C8H6OS
LogP :2.60
Molecular Weight :150.19
TPSA :48.5
Category :Building Blocks
HSN Code :—
SMILES Code :Oc1cccc2ccsc12
Melting Point :—
InChI Key : :GCMUDSUJOMUXKE-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✓ 150.2 Da
LogP ≤ 5✓ 2.60
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i70/100
Good drug-like profile
Predicted LogP
i2.60log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 48.5Ų · 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.