5,7-dichloro-8-fluoro-2-methylsulfanyl-3H-pyrido[4,3-d]pyrimidin-4-one

CAS No.：

Cat. No.: SC251276

Available on Request

Price on Request

Bulk Inquiry

Product Name :5,7-dichloro-8-fluoro-2-methylsulfanyl-3H-pyrido[4,3-d]pyrimidin-4-one

Cat. No.: :SC251276

Purity / Specification :—

CAS No. :2763157-90-8

MDL No. :—

Molecular Formula :C₈H₄Cl₂FN₃OS

LogP :2.60

Molecular Weight :280.10

TPSA :79.7

Category :CRO / Contract Research

HSN Code :—

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

Melting Point :—

InChI Key : :UVUILCJJGCRSNW-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✓ 280.1 Da

LogP ≤ 5✓ 2.60

HBD ≤ 5✓ 1

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

94/100

Excellent drug-like profile

Predicted LogP

2.60log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 79.7Å² · 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.