Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester
TL;DR: Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester (CAS 138621-85-9) is a chemical compound with molecular formula C30H49BrO3 and molecular weight 536.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] docosanoate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl docosanoate, [2-(4-bromophenyl)-2-oxoethyl] docosanoate, Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester, 1-(4-Brom-phenyl)-2-docosanoyloxy-aethanon, [2-(4-bromophenyl)-2-oxo-ethyl] Docosanoate
| Molecular Formula | C30H49BrO3 |
|---|---|
| Molecular Weight | 536.29 g/mol |
| LogP | 9.9969 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 23 |
| Exact Mass | 536.2865 |
| Heavy Atoms | 34 |
| Complexity | 626.44257 |
Chemical Identifiers
| CAS Number | 138621-85-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)C1=CC=C(C=C1)Br |
Product Overview
Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester (CAS 138621-85-9), with molecular formula C30H49BrO3 and molecular weight 536.29 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] docosanoate.
Chemical Property Profile of Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester
Property Insights of Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester
The XLogP value of 9.9969 indicates that Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester?
The CAS number of Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester is 138621-85-9.
What is the molecular formula of Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester?
The molecular formula of Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester is C30H49BrO3.
What is the molecular weight of Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester?
The molecular weight of Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester is 536.29 g/mol.
Where can I buy Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester?
You can request a quote for Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.