4,5,7-trichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine

CAS No.：

Cat. No.: SC251275

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Product Name :4,5,7-trichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine

Cat. No.: :SC251275

Purity / Specification :—

CAS No. :2933936-05-9

MDL No. :—

Molecular Formula :C₈H₃Cl₃FN₃S

LogP :4.30

Molecular Weight :298.54

TPSA :64.0

Category :CRO / Contract Research

HSN Code :—

SMILES Code :CSC1=NC2=C(C(=NC(=C2F)Cl)Cl)C(=N1)Cl

Melting Point :—

InChI Key : :PWYGKNIMUAMHIS-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 298.5 Da

LogP ≤ 5✓ 4.30

HBD ≤ 5✓ 0

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

81/100

Good drug-like profile

Predicted LogP

4.30log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 64.0Å² · 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.