Ethyl 2-bromoheptanoate
TL;DR: Ethyl 2-bromoheptanoate (CAS 5333-88-0) is a chemical compound with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromoheptanoate
Also Known As: Ethyl 2-bromoheptanoate, Ethyl alpha-bromoheptanoate, ethyl 2bromoheptanoate, ethyl-2-bromoheptanoate, Ethyl .alpha.-bromoheptanoate
| Molecular Formula | C9H17BrO2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.04118 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 5333-88-0 |
|---|---|
| SMILES | CCCCCC(C(=O)OCC)Br |
| InChIKey | GNCLPIAYAPQPOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-bromoheptanoate (CAS 5333-88-0), with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol. IUPAC: ethyl 2-bromoheptanoate.
Chemical Property Profile of Ethyl 2-bromoheptanoate
Property Insights of Ethyl 2-bromoheptanoate
The XLogP value of 3.6 indicates that Ethyl 2-bromoheptanoate 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-bromoheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-bromoheptanoate 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-bromoheptanoate?
The CAS number of Ethyl 2-bromoheptanoate is 5333-88-0.
What is the molecular formula of Ethyl 2-bromoheptanoate?
The molecular formula of Ethyl 2-bromoheptanoate is C9H17BrO2.
What is the molecular weight of Ethyl 2-bromoheptanoate?
The molecular weight of Ethyl 2-bromoheptanoate is 236.04 g/mol.
Where can I buy Ethyl 2-bromoheptanoate?
You can request a quote for Ethyl 2-bromoheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-bromoheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-bromoheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.