Benzyl bromoacetate
TL;DR: Benzyl bromoacetate (CAS 5437-45-6) 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.
benzyl 2-bromoacetate
Also Known As: Benzyl 2-bromoacetate, Benzyl bromoacetate, Bromoacetic acid benzyl ester, Merbac 35, benzyl bromacetate
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.8 |
| 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 | 5437-45-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CBr |
| InChIKey | JHVLLYQQQYIWKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl bromoacetate (CAS 5437-45-6), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: benzyl 2-bromoacetate.
Chemical Property Profile of Benzyl bromoacetate
Property Insights of Benzyl bromoacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl bromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl bromoacetate 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 Benzyl bromoacetate?
The CAS number of Benzyl bromoacetate is 5437-45-6.
What is the molecular formula of Benzyl bromoacetate?
The molecular formula of Benzyl bromoacetate is C9H9BrO2.
What is the molecular weight of Benzyl bromoacetate?
The molecular weight of Benzyl bromoacetate is 227.98 g/mol.
Where can I buy Benzyl bromoacetate?
You can request a quote for Benzyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.