Ethyl 2-bromooctanoate
TL;DR: Ethyl 2-bromooctanoate (CAS 5445-29-4) is a chemical compound with molecular formula C10H19BrO2 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromooctanoate
Also Known As: Ethyl 2-bromooctanoate, Ethyl 2-bromocaprylate, ETHYL2-BROMOOCTANOATE, ethyl-2-bromooctanoate, Ethyl=2-bromooctanoate
| Molecular Formula | C10H19BrO2 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.05684 |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 5445-29-4 |
|---|---|
| SMILES | CCCCCCC(C(=O)OCC)Br |
| InChIKey | JIQJOKSCSVMZAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-bromooctanoate (CAS 5445-29-4), with molecular formula C10H19BrO2 and molecular weight 250.06 g/mol. IUPAC: ethyl 2-bromooctanoate.
Chemical Property Profile of Ethyl 2-bromooctanoate
Property Insights of Ethyl 2-bromooctanoate
The XLogP value of 4.2 indicates that Ethyl 2-bromooctanoate 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-bromooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-bromooctanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-bromooctanoate?
The CAS number of Ethyl 2-bromooctanoate is 5445-29-4.
What is the molecular formula of Ethyl 2-bromooctanoate?
The molecular formula of Ethyl 2-bromooctanoate is C10H19BrO2.
What is the molecular weight of Ethyl 2-bromooctanoate?
The molecular weight of Ethyl 2-bromooctanoate is 250.06 g/mol.
Where can I buy Ethyl 2-bromooctanoate?
You can request a quote for Ethyl 2-bromooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-bromooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-bromooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.