2-(4-Bromophenyl)-2-oxoethyl formate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl formate (CAS 10536-76-2) is a chemical compound with molecular formula C9H7BrO3 and molecular weight 241.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] formate
Also Known As: p-Bromophenacyl formate, 4-Bromophenacyl formate, 4-bromo-phenacyl formate, 2-(4-Bromophenyl)-2-oxoethyl formate, [2-(4-bromophenyl)-2-oxoethyl] formate
| Molecular Formula | C9H7BrO3 |
|---|---|
| Molecular Weight | 241.96 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.95786 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 10536-76-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)COC=O)Br |
| InChIKey | BWLSFUNRXDNNJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Bromophenyl)-2-oxoethyl formate (CAS 10536-76-2), with molecular formula C9H7BrO3 and molecular weight 241.96 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] formate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl formate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl formate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromophenyl)-2-oxoethyl formate. With a topological polar surface area (TPSA) of 43.4 Ų, 2-(4-Bromophenyl)-2-oxoethyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl formate 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 2-(4-Bromophenyl)-2-oxoethyl formate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl formate is 10536-76-2.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl formate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl formate is C9H7BrO3.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl formate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl formate is 241.96 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl formate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoethyl formate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.