6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
CAS No.：
Cat. No.: SC251562
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Product Name :6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
Cat. No.: :SC251562
Purity / Specification :—
CAS No. :1231930-42-9
MDL No. :—
Molecular Formula :C15H13ClF2N4
LogP :3.60
Molecular Weight :322.74
TPSA :43.6
Category :API Impurities
HSN Code :—
SMILES Code :Cc1nc2c(F)cc(-c3nc(Cl)ncc3F)cc2n1C(C)C
Melting Point :—
InChI Key : :BDVDXNYOCBUMNP-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✓ 322.7 Da
LogP ≤ 5✓ 3.60
HBD ≤ 5✓ 0
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i87/100
Excellent drug-like profile
Predicted LogP
i3.60log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 43.6Ų · 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.