2-(4-Bromophenyl)-2-oxoethyl butyrate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl butyrate (CAS 5611-17-6) is a chemical compound with molecular formula C12H13BrO3 and molecular weight 284.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] butanoate
Also Known As: p-Bromophenacyl butyrate, 4-Bromophenacyl butanoate, 2-(4-Bromophenyl)-2-oxoethyl butyrate, 2-(4-bromophenyl)-2-oxoethyl butanoate, Butyric acid p-bromophenacyl ester
| Molecular Formula | C12H13BrO3 |
|---|---|
| Molecular Weight | 284.00 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.00482 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 5611-17-6 |
|---|---|
| SMILES | CCCC(=O)OCC(=O)C1=CC=C(C=C1)Br |
| InChIKey | RALLTEHXOOWFSX-UHFFFAOYSA-N |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl butyrate (CAS 5611-17-6), with molecular formula C12H13BrO3 and molecular weight 284.00 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] butanoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl butyrate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl butyrate
The XLogP value of 3.0 indicates that 2-(4-Bromophenyl)-2-oxoethyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2-(4-Bromophenyl)-2-oxoethyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl butyrate 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 butyrate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl butyrate is 5611-17-6.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl butyrate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl butyrate is C12H13BrO3.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl butyrate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl butyrate is 284.00 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl butyrate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl butyrate 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 butyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.