Thieno[2,3-b]pyridine-5-carboxylic acid
CAS No.：
Cat. No.: SC24744
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Product Name :Thieno[2,3-b]pyridine-5-carboxylic acid
Cat. No.: :SC24744
Purity / Specification :—
CAS No. :117390-38-2
MDL No. :MFCD19690393
Molecular Formula :C8H5NO2S
LogP :1.70
Molecular Weight :179.19
TPSA :78.4
Category :Building Blocks
HSN Code :—
SMILES Code :O=C(O)c1cnc2sccc2c1
Melting Point :—
InChI Key : :JDWFURAFRCAVOH-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✓ 179.2 Da
LogP ≤ 5✓ 1.70
HBD ≤ 5✓ 1
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i75/100
Good drug-like profile
Predicted LogP
i1.70log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 78.4Ų · 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.