Ethyl 2-bromoundecanoate
TL;DR: Ethyl 2-bromoundecanoate (CAS 5445-40-9) is a chemical compound with molecular formula C13H25BrO2 and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromoundecanoate
Also Known As: Ethyl 2-bromoundecanoate, ethyl2-bromoundecanoate, ETHYL omega-BROMOUNDECANOATE, 2-Brom-undecansaeure-aethylester, 2-Bromoundecanoic acid ethyl ester
| Molecular Formula | C13H25BrO2 |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 292.1038 |
| Heavy Atoms | 16 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 5445-40-9 |
|---|---|
| SMILES | CCCCCCCCCC(C(=O)OCC)Br |
| InChIKey | AJPBEWRTHGLNRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-bromoundecanoate (CAS 5445-40-9), with molecular formula C13H25BrO2 and molecular weight 292.10 g/mol. IUPAC: ethyl 2-bromoundecanoate.
Chemical Property Profile of Ethyl 2-bromoundecanoate
Property Insights of Ethyl 2-bromoundecanoate
The XLogP value of 5.8 indicates that Ethyl 2-bromoundecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-bromoundecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-bromoundecanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-bromoundecanoate?
The CAS number of Ethyl 2-bromoundecanoate is 5445-40-9.
What is the molecular formula of Ethyl 2-bromoundecanoate?
The molecular formula of Ethyl 2-bromoundecanoate is C13H25BrO2.
What is the molecular weight of Ethyl 2-bromoundecanoate?
The molecular weight of Ethyl 2-bromoundecanoate is 292.10 g/mol.
Where can I buy Ethyl 2-bromoundecanoate?
You can request a quote for Ethyl 2-bromoundecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-bromoundecanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-bromoundecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.