2-Bromoethyl Benzoate
TL;DR: 2-Bromoethyl Benzoate (CAS 939-54-8) 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.
2-bromoethyl benzoate
Also Known As: 2-Bromoethyl benzoate, 2-bromoethylbenzoate, 4-Azabiphenyl, Benzoic acid 2-bromoethyl ester, Bromoethyl Benzoate
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 939-54-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCBr |
| InChIKey | KNBBDZULQFKSIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromoethyl Benzoate (CAS 939-54-8), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: 2-bromoethyl benzoate.
Chemical Property Profile of 2-Bromoethyl Benzoate
Property Insights of 2-Bromoethyl Benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromoethyl Benzoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromoethyl Benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoethyl Benzoate 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 2-Bromoethyl Benzoate?
The CAS number of 2-Bromoethyl Benzoate is 939-54-8.
What is the molecular formula of 2-Bromoethyl Benzoate?
The molecular formula of 2-Bromoethyl Benzoate is C9H9BrO2.
What is the molecular weight of 2-Bromoethyl Benzoate?
The molecular weight of 2-Bromoethyl Benzoate is 227.98 g/mol.
Where can I buy 2-Bromoethyl Benzoate?
You can request a quote for 2-Bromoethyl Benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromoethyl Benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoethyl Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.