Ethyl 2-bromododecanoate
TL;DR: Ethyl 2-bromododecanoate (CAS 6974-87-4) is a chemical compound with molecular formula C14H27BrO2 and molecular weight 306.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromododecanoate
Also Known As: Ethyl 2-bromododecanoate, Ethyl A-Bromolaurate, Ethyl alpha-bromo laurate, Ethylalpha-bromolaurate, ETHYLA-BROMOLAURATE
| Molecular Formula | C14H27BrO2 |
|---|---|
| Molecular Weight | 306.12 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 306.11945 |
| Heavy Atoms | 17 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 6974-87-4 |
|---|---|
| SMILES | CCCCCCCCCCC(C(=O)OCC)Br |
| InChIKey | VGYZSIMAKGWWOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-bromododecanoate (CAS 6974-87-4), with molecular formula C14H27BrO2 and molecular weight 306.12 g/mol. IUPAC: ethyl 2-bromododecanoate.
Chemical Property Profile of Ethyl 2-bromododecanoate
Property Insights of Ethyl 2-bromododecanoate
The XLogP value of 6.4 indicates that Ethyl 2-bromododecanoate 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-bromododecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-bromododecanoate 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-bromododecanoate?
The CAS number of Ethyl 2-bromododecanoate is 6974-87-4.
What is the molecular formula of Ethyl 2-bromododecanoate?
The molecular formula of Ethyl 2-bromododecanoate is C14H27BrO2.
What is the molecular weight of Ethyl 2-bromododecanoate?
The molecular weight of Ethyl 2-bromododecanoate is 306.12 g/mol.
Where can I buy Ethyl 2-bromododecanoate?
You can request a quote for Ethyl 2-bromododecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-bromododecanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-bromododecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.