Propyl bromo(phenyl)acetate
TL;DR: Propyl bromo(phenyl)acetate (CAS 86569-52-0) is a chemical compound with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-bromo-2-phenylacetate
Also Known As: propyl bromo(phenyl)acetate, propyl 2-bromo-2-phenylacetate, bromo-phenyl-acetic acid propyl ester, Benzeneacetic acid, a-bromo-, propyl ester
| Molecular Formula | C11H13BrO2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0099 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 86569-52-0 |
|---|---|
| SMILES | CCCOC(=O)C(C1=CC=CC=C1)Br |
| InChIKey | DFORELXXQPYYGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl bromo(phenyl)acetate (CAS 86569-52-0), with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol. IUPAC: propyl 2-bromo-2-phenylacetate.
Chemical Property Profile of Propyl bromo(phenyl)acetate
Property Insights of Propyl bromo(phenyl)acetate
The XLogP value of 3.5 indicates that Propyl bromo(phenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl bromo(phenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl bromo(phenyl)acetate 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 Propyl bromo(phenyl)acetate?
The CAS number of Propyl bromo(phenyl)acetate is 86569-52-0.
What is the molecular formula of Propyl bromo(phenyl)acetate?
The molecular formula of Propyl bromo(phenyl)acetate is C11H13BrO2.
What is the molecular weight of Propyl bromo(phenyl)acetate?
The molecular weight of Propyl bromo(phenyl)acetate is 256.01 g/mol.
Where can I buy Propyl bromo(phenyl)acetate?
You can request a quote for Propyl bromo(phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl bromo(phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl bromo(phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.