ethyl (2S)-2-bromooctanoate
TL;DR: ethyl (2S)-2-bromooctanoate (CAS 1190602-28-8) is a chemical compound with molecular formula C10H19BrO2 and molecular weight 250.05684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2S)-2-bromooctanoate
Also Known As: Ethyl 2-bromooctanoate, Octanoic acid, 2-bromo-, ethyl ester, (2S)-
Technical Specifications
| Molecular Formula | C10H19BrO2 |
| Molecular Weight | 250.05684 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.05684 Da |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
| SMILES | CCCCCC[C@@H](C(=O)OCC)Br |
| InChIKey | JIQJOKSCSVMZAN-VIFPVBQESA-N |
Chemical Property Profile of ethyl (2S)-2-bromooctanoate
Property Insights of ethyl (2S)-2-bromooctanoate
The XLogP value of 4.2 indicates that ethyl (2S)-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 (2S)-2-bromooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2S)-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
What is the CAS number of ethyl (2S)-2-bromooctanoate?
The CAS number of ethyl (2S)-2-bromooctanoate is 1190602-28-8.
What is the molecular formula of ethyl (2S)-2-bromooctanoate?
The molecular formula of ethyl (2S)-2-bromooctanoate is C10H19BrO2.
What is the molecular weight of ethyl (2S)-2-bromooctanoate?
The molecular weight of ethyl (2S)-2-bromooctanoate is 250.05684 g/mol.
Where can I buy ethyl (2S)-2-bromooctanoate?
You can request a quote for ethyl (2S)-2-bromooctanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (2S)-2-bromooctanoate?
Yes, CoreyChem provides custom synthesis services for ethyl (2S)-2-bromooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.