2-Bromoethyl dodecanoate
TL;DR: 2-Bromoethyl dodecanoate (CAS 6972-81-2) 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.
2-bromoethyl dodecanoate
Also Known As: 2-bromoethyl dodecanoate, Dodecanoic acid,2-bromoethyl ester, Laurinsaeure-(2-brom-aethylester), Dodecanoic acid 2-bromo-ethyl ester
| Molecular Formula | C14H27BrO2 |
|---|---|
| Molecular Weight | 306.12 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 306.11945 |
| Heavy Atoms | 17 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 6972-81-2 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCCBr |
| InChIKey | OJTJEBDBHVSJBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromoethyl dodecanoate (CAS 6972-81-2), with molecular formula C14H27BrO2 and molecular weight 306.12 g/mol. IUPAC: 2-bromoethyl dodecanoate.
Chemical Property Profile of 2-Bromoethyl dodecanoate
Property Insights of 2-Bromoethyl dodecanoate
The XLogP value of 6.0 indicates that 2-Bromoethyl dodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromoethyl dodecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoethyl dodecanoate 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 2-Bromoethyl dodecanoate?
The CAS number of 2-Bromoethyl dodecanoate is 6972-81-2.
What is the molecular formula of 2-Bromoethyl dodecanoate?
The molecular formula of 2-Bromoethyl dodecanoate is C14H27BrO2.
What is the molecular weight of 2-Bromoethyl dodecanoate?
The molecular weight of 2-Bromoethyl dodecanoate is 306.12 g/mol.
Where can I buy 2-Bromoethyl dodecanoate?
You can request a quote for 2-Bromoethyl dodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromoethyl dodecanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoethyl dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.