Potassium trifluoro-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]boranuide

CAS No.：

Cat. No.: SC251583

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Product Name :Potassium trifluoro-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]boranuide

Cat. No.: :SC251583

Purity / Specification :—

CAS No. :2089246-64-8

MDL No. :—

Molecular Formula :C₉H₉BF₄KNO₂

LogP :-1.05

Molecular Weight :289.08

TPSA :38.3

Category :API Impurities

HSN Code :—

SMILES Code :[B-](CNC(=O)C1=C(C=CC(=C1)F)OC)(F)(F)F.[K+]

Melting Point :—

InChI Key : :UDPCOIICENWHDM-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✓ 289.1 Da

LogP ≤ 5✓ -1.05

HBD ≤ 5✓ 1

HBA ≤ 10✓ 7

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

68/100

Moderate — typical building block

Predicted LogP

-1.05log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 38.3Å² · 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.