Methyl 2-(4-bromophenyl)-2-oxoacetate, ≥98.90%

CAS No.：

Cat. No.: SC261836

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Product Name :Methyl 2-(4-bromophenyl)-2-oxoacetate

Cat. No.: :SC261836

Purity / Specification :≥98.90%

CAS No. :57699-28-2

MDL No. :—

Molecular Formula :C₉H₇BrO₃

LogP :—

Molecular Weight :243.06

TPSA :—

Category :Building Block

HSN Code :—

SMILES Code :COC(=O)C(=O)c1ccc(Br)cc1

Melting Point :—

InChI Key : :ZFPFIURFXDPBIP-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

MW ≤ 500 Da✓ 243.1 Da

LogP ≤ 5— N/A

HBD ≤ 5— N/A

HBA ≤ 10— N/A

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

69/100

Moderate — typical building block

Predicted LogP

N/A

CNS Permeability

Clark model · J Pharm Sci, 1999

TPSA data required

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.