4-Bromophenacyl pentanoate
TL;DR: 4-Bromophenacyl pentanoate (CAS 22980-28-5) is a chemical compound with molecular formula C13H15BrO3 and molecular weight 298.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] pentanoate
Also Known As: 4-Bromophenacyl pentanoate, p-Bromophenacyl pentanoate, 2-(4-Bromophenyl)-2-oxoethyl pentanoate, [2-(4-bromophenyl)-2-oxoethyl] pentanoate, Valeric acid, p-bromophenacyl ester
| Molecular Formula | C13H15BrO3 |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.02045 |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 22980-28-5 |
|---|---|
| SMILES | CCCCC(=O)OCC(=O)C1=CC=C(C=C1)Br |
| InChIKey | VEDRYOHPAXBVIU-UHFFFAOYSA-N |
Product Overview
4-Bromophenacyl pentanoate (CAS 22980-28-5), with molecular formula C13H15BrO3 and molecular weight 298.02 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] pentanoate.
Chemical Property Profile of 4-Bromophenacyl pentanoate
Property Insights of 4-Bromophenacyl pentanoate
The XLogP value of 3.6 indicates that 4-Bromophenacyl pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Bromophenacyl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenacyl pentanoate 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 4-Bromophenacyl pentanoate?
The CAS number of 4-Bromophenacyl pentanoate is 22980-28-5.
What is the molecular formula of 4-Bromophenacyl pentanoate?
The molecular formula of 4-Bromophenacyl pentanoate is C13H15BrO3.
What is the molecular weight of 4-Bromophenacyl pentanoate?
The molecular weight of 4-Bromophenacyl pentanoate is 298.02 g/mol.
Where can I buy 4-Bromophenacyl pentanoate?
You can request a quote for 4-Bromophenacyl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenacyl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenacyl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.