Methyl 4-chlorothieno[3,2-c]pyridine-2-carboxylate
CAS No.：
Cat. No.: SC251242
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Product Name :Methyl 4-chlorothieno[3,2-c]pyridine-2-carboxylate
Cat. No.: :SC251242
Purity / Specification :—
CAS No. :1315364-06-7
MDL No. :—
Molecular Formula :C9H6ClNO2S
LogP :3.00
Molecular Weight :227.66
TPSA :67.4
Category :CRO / Contract Research
HSN Code :—
SMILES Code :COC(=O)C1=CC2=C(S1)C=CN=C2Cl
Melting Point :—
InChI Key : :GSMBIBQIYVACCI-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✓ 227.7 Da
LogP ≤ 5✓ 3.00
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i85/100
Excellent drug-like profile
Predicted LogP
i3.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 67.4Ų · 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.