Ethyl 6-bromohexanoate
TL;DR: Ethyl 6-bromohexanoate (CAS 25542-62-5) is a chemical compound with molecular formula C8H15BrO2 and molecular weight 222.02554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-bromohexanoate
Also Known As: Ethyl 6-bromohexanoate, 6-Bromohexanoic acid ethyl ester, Ethyl 6-Bromocaproate, Ethyl 6-bromocapronate, Ethyl omega-bromocaproate
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H15BrO2 |
| Molecular Weight | 222.02554 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.02554 Da |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
| SMILES | CCOC(=O)CCCCCBr |
| InChIKey | DXBULVYHTICWKT-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 6-bromohexanoate
Property Insights of Ethyl 6-bromohexanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-bromohexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 6-bromohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-bromohexanoate 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
What is the CAS number of Ethyl 6-bromohexanoate?
The CAS number of Ethyl 6-bromohexanoate is 25542-62-5.
What is the molecular formula of Ethyl 6-bromohexanoate?
The molecular formula of Ethyl 6-bromohexanoate is C8H15BrO2.
What is the molecular weight of Ethyl 6-bromohexanoate?
The molecular weight of Ethyl 6-bromohexanoate is 222.02554 g/mol.
Where can I buy Ethyl 6-bromohexanoate?
You can request a quote for Ethyl 6-bromohexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 6-bromohexanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 6-bromohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.