ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate
TL;DR: ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate (CAS 151267-16-2) is a chemical compound with molecular formula C8H13BrN2O2 and molecular weight 248.01604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate
Also Known As: ethyl 2-bromo-3-cyanamido-2-methylbutanoate, Ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methyl-butanoate
Technical Specifications
| Molecular Formula | C8H13BrN2O2 |
| Molecular Weight | 248.01604 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.01604 Da |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
| SMILES | CCOC(=O)[C@](C)([C@@H](C)NC#N)Br |
| InChIKey | QWHYMDOYDDAWLX-SVRRBLITSA-N |
Chemical Property Profile of ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate
Property Insights of ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate. Following Lipinski's Rule of Five, ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate has 1 hydrogen bond donor(s) and 4 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,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate?
The CAS number of ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate is 151267-16-2.
What is the molecular formula of ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate?
The molecular formula of ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate is C8H13BrN2O2.
What is the molecular weight of ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate?
The molecular weight of ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate is 248.01604 g/mol.
Where can I buy ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate?
You can request a quote for ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate?
Yes, CoreyChem provides custom synthesis services for ethyl (2S,3R)-2-bromo-3-(cyanoamino)-2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.