Ethyl 4-bromobenzoate
TL;DR: Ethyl 4-bromobenzoate (CAS 5798-75-4) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromobenzoate
Also Known As: Ethyl 4-bromobenzoate, 4-Bromobenzoic Acid Ethyl Ester, ETHYL P-BROMOBENZOATE, ethyl4-bromobenzoate, Ethyl-4-bromobenzoate
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 5798-75-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)Br |
| InChIKey | XZIAFENWXIQIKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-bromobenzoate (CAS 5798-75-4), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: ethyl 4-bromobenzoate.
Chemical Property Profile of Ethyl 4-bromobenzoate
Property Insights of Ethyl 4-bromobenzoate
The XLogP value of 3.5 indicates that Ethyl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-bromobenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-bromobenzoate?
The CAS number of Ethyl 4-bromobenzoate is 5798-75-4.
What is the molecular formula of Ethyl 4-bromobenzoate?
The molecular formula of Ethyl 4-bromobenzoate is C9H9BrO2.
What is the molecular weight of Ethyl 4-bromobenzoate?
The molecular weight of Ethyl 4-bromobenzoate is 227.98 g/mol.
Where can I buy Ethyl 4-bromobenzoate?
You can request a quote for Ethyl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.