Ethyl 4-(bromomethyl)benzoate

CAS No.：

Cat. No.: SC251104

Available on Request

Price on Request

Bulk Inquiry

Product Name :Ethyl 4-(bromomethyl)benzoate

Cat. No.: :SC251104

Purity / Specification :—

CAS No. :26496-94-6

MDL No. :—

Molecular Formula :C₁₀H₁₁BrO₂

LogP :3.20

Molecular Weight :243.10

TPSA :26.3

Category :CRO / Contract Research

HSN Code :—

SMILES Code :CCOC(=O)c1ccc(CBr)cc1

Melting Point :—

InChI Key : :TWQLMAJROCNXEA-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✓ 243.1 Da

LogP ≤ 5✓ 3.20

HBD ≤ 5✓ 0

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

75/100

Good drug-like profile

Predicted LogP

3.20log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 26.3Å² · 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.