Tetradecanoic acid, 2-bromoethyl ester
TL;DR: Tetradecanoic acid, 2-bromoethyl ester (CAS 97006-97-8) is a chemical compound with molecular formula C16H31BrO2 and molecular weight 334.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromoethyl tetradecanoate
Also Known As: 2-bromoethyl tetradecanoate, Tetradecanoic acid, 2-bromoethyl ester, 1-Piperidineacetamide, N-(3,4-dimethyl-5-isoxazolyl)-alpha-isopropyl-, RefChem:384051
| Molecular Formula | C16H31BrO2 |
|---|---|
| Molecular Weight | 334.15 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 334.15073 |
| Heavy Atoms | 19 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 97006-97-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OCCBr |
| InChIKey | HAVMBYWSHAHPRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetradecanoic acid, 2-bromoethyl ester (CAS 97006-97-8), with molecular formula C16H31BrO2 and molecular weight 334.15 g/mol. IUPAC: 2-bromoethyl tetradecanoate.
Chemical Property Profile of Tetradecanoic acid, 2-bromoethyl ester
Property Insights of Tetradecanoic acid, 2-bromoethyl ester
The XLogP value of 7.1 indicates that Tetradecanoic acid, 2-bromoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Tetradecanoic acid, 2-bromoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetradecanoic acid, 2-bromoethyl ester 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 Tetradecanoic acid, 2-bromoethyl ester?
The CAS number of Tetradecanoic acid, 2-bromoethyl ester is 97006-97-8.
What is the molecular formula of Tetradecanoic acid, 2-bromoethyl ester?
The molecular formula of Tetradecanoic acid, 2-bromoethyl ester is C16H31BrO2.
What is the molecular weight of Tetradecanoic acid, 2-bromoethyl ester?
The molecular weight of Tetradecanoic acid, 2-bromoethyl ester is 334.15 g/mol.
Where can I buy Tetradecanoic acid, 2-bromoethyl ester?
You can request a quote for Tetradecanoic acid, 2-bromoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetradecanoic acid, 2-bromoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Tetradecanoic acid, 2-bromoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.