4-chlorothieno[2,3-e]pyrimidine
CAS No.：
Cat. No.: SC23437
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Product Name :4-chlorothieno[2,3-e]pyrimidine
Cat. No.: :SC23437
Purity / Specification :—
CAS No. :16269-66-3
MDL No. :—
Molecular Formula :C6H3ClN2S
LogP :2.34
Molecular Weight :170.61
TPSA :25.8
Category :Building Blocks
HSN Code :—
SMILES Code :Clc1ncnc2ccsc12
Melting Point :—
InChI Key : :TWTODSLDHCDLDR-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✓ 170.6 Da
LogP ≤ 5✓ 2.34
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i69/100
Moderate — typical building block
Predicted LogP
i2.34log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 25.8Ų · 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.