7-chlorothieno[2,3-c]pyridine-2-carbaldehyde
CAS No.：
Cat. No.: SC251245
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Product Name :7-chlorothieno[2,3-c]pyridine-2-carbaldehyde
Cat. No.: :SC251245
Purity / Specification :—
CAS No. :1367965-39-6
MDL No. :—
Molecular Formula :C8H4ClNOS
LogP :2.60
Molecular Weight :197.64
TPSA :58.2
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1=CN=C(C2=C1C=C(S2)C=O)Cl
Melting Point :—
InChI Key : :OWWNHPARTURJSQ-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✓ 197.6 Da
LogP ≤ 5✓ 2.60
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i81/100
Good drug-like profile
Predicted LogP
i2.60log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 58.2Ų · 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.