Ethyl 2-(2-bromoacetyl)benzoate
TL;DR: Ethyl 2-(2-bromoacetyl)benzoate (CAS 133993-34-7) 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 2-(2-bromoacetyl)benzoate
Also Known As: ethyl 2-(2-bromoacetyl)benzoate, ethyl 2-(2-bromoacetyl)benzenecarboxylate, ethyl 2-bromoacetylbenzoate, Ethyl 2-(bromoacetyl)benzoate, ethylbromoacetylbenzenecarboxylate
| Molecular Formula | C11H11BrO3 |
|---|---|
| Molecular Weight | 269.99 g/mol |
| LogP | 2.4409 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.98917 |
| Heavy Atoms | 15 |
| Complexity | 373.8507 |
Chemical Identifiers
| CAS Number | 133993-34-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1C(=O)CBr |
Product Overview
Ethyl 2-(2-bromoacetyl)benzoate (CAS 133993-34-7), with molecular formula C11H11BrO3 and molecular weight 269.99 g/mol. IUPAC: ethyl 2-(2-bromoacetyl)benzoate.
Chemical Property Profile of Ethyl 2-(2-bromoacetyl)benzoate
Property Insights of Ethyl 2-(2-bromoacetyl)benzoate
The XLogP value of 2.4409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-bromoacetyl)benzoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2-(2-bromoacetyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(2-bromoacetyl)benzoate 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 Ethyl 2-(2-bromoacetyl)benzoate?
The CAS number of Ethyl 2-(2-bromoacetyl)benzoate is 133993-34-7.
What is the molecular formula of Ethyl 2-(2-bromoacetyl)benzoate?
The molecular formula of Ethyl 2-(2-bromoacetyl)benzoate is C11H11BrO3.
What is the molecular weight of Ethyl 2-(2-bromoacetyl)benzoate?
The molecular weight of Ethyl 2-(2-bromoacetyl)benzoate is 269.99 g/mol.
Where can I buy Ethyl 2-(2-bromoacetyl)benzoate?
You can request a quote for Ethyl 2-(2-bromoacetyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-bromoacetyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-bromoacetyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.