4-chloro-2-methylthieno[3,2-d]pyrimidine
CAS No.：
Cat. No.: SC25933
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Product Name :4-chloro-2-methylthieno[3,2-d]pyrimidine
Cat. No.: :SC25933
Purity / Specification :—
CAS No. :319442-16-5
MDL No. :MFCD09834968
Molecular Formula :C7H5ClN2S
LogP :2.70
Molecular Weight :184.64
TPSA :54.0
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1nc(Cl)c2sccc2n1
Melting Point :—
InChI Key : :OSAOHHSXWALXET-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✓ 184.6 Da
LogP ≤ 5✓ 2.70
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i79/100
Good drug-like profile
Predicted LogP
i2.70log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 54.0Ų · 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.