Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester
TL;DR: Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester (CAS 21575-91-7) is a chemical compound with molecular formula C11H11BrO3 and molecular weight 269.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-bromophenyl)-3-oxopropanoate
Also Known As: ethyl 3-(3-bromophenyl)-3-oxopropanoate, Ethyl (3-bromobenzoyl)acetate, Benzenepropanoic acid,3-bromo-b-oxo-, ethyl ester, Ethyl 3-bromo-3-oxobenzenepropionate, Ethyl-3-(3-bromophenyl)3-oxopropanoate
| Molecular Formula | C11H11BrO3 |
|---|---|
| Molecular Weight | 269.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.98917 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 21575-91-7 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC(=CC=C1)Br |
| InChIKey | JSVMCOQPWKQNGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester (CAS 21575-91-7), with molecular formula C11H11BrO3 and molecular weight 269.99 g/mol. IUPAC: ethyl 3-(3-bromophenyl)-3-oxopropanoate.
Chemical Property Profile of Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester
Property Insights of Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester has 0 hydrogen bond donor(s) and 3 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 Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester?
The CAS number of Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester is 21575-91-7.
What is the molecular formula of Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester?
The molecular formula of Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester is C11H11BrO3.
What is the molecular weight of Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester?
The molecular weight of Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester is 269.99 g/mol.
Where can I buy Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester?
You can request a quote for Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.