ethyl (2S)-2-bromopentanoate
TL;DR: ethyl (2S)-2-bromopentanoate (CAS 885478-43-3) is a chemical compound with molecular formula C7H13BrO2 and molecular weight 208.00989 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2S)-2-bromopentanoate
Also Known As: Ethyl 2-bromovalerate, ethyl (s)-2-bromo-valerate, ethyl (2S)-2-bromopentanoate
Technical Specifications
| Molecular Formula | C7H13BrO2 |
| Molecular Weight | 208.00989 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.00989 Da |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
| SMILES | CCC[C@@H](C(=O)OCC)Br |
| InChIKey | ORSIRXYHFPHWTN-LURJTMIESA-N |
Chemical Property Profile of ethyl (2S)-2-bromopentanoate
Property Insights of ethyl (2S)-2-bromopentanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2S)-2-bromopentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, ethyl (2S)-2-bromopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2S)-2-bromopentanoate 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-bromopentanoate?
The CAS number of ethyl (2S)-2-bromopentanoate is 885478-43-3.
What is the molecular formula of ethyl (2S)-2-bromopentanoate?
The molecular formula of ethyl (2S)-2-bromopentanoate is C7H13BrO2.
What is the molecular weight of ethyl (2S)-2-bromopentanoate?
The molecular weight of ethyl (2S)-2-bromopentanoate is 208.00989 g/mol.
Where can I buy ethyl (2S)-2-bromopentanoate?
You can request a quote for ethyl (2S)-2-bromopentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (2S)-2-bromopentanoate?
Yes, CoreyChem provides custom synthesis services for ethyl (2S)-2-bromopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.