1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate
TL;DR: 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate (CAS 141642-82-2) is a chemical compound with molecular formula C14H23NO5 and molecular weight 285.15762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate
Also Known As: Ethyl 1-Boc-5-oxo-hexahydro-1H-azepine-4-carboxylate, Ethyl 1-Boc-5-oxohexahydro-1H-azepine-4-carboxylate, Ethyl1-Boc-5-oxo-hexahydro-1H-azepine-4-carboxylate, 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate
Technical Specifications
| Molecular Formula | C14H23NO5 |
| Molecular Weight | 285.15762 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.15762 Da |
| Heavy Atoms | 20 |
| Complexity | 386.0 |
| SMILES | CCOC(=O)[C@H]1CCN(CCC1=O)C(=O)OC(C)(C)C |
| InChIKey | FGOJCPKOOGIRPA-JTQLQIEISA-N |
Chemical Property Profile of 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate
Property Insights of 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate. Following Lipinski's Rule of Five, 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate?
The CAS number of 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate is 141642-82-2.
What is the molecular formula of 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate?
The molecular formula of 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate is C14H23NO5.
What is the molecular weight of 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate?
The molecular weight of 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate is 285.15762 g/mol.
Where can I buy 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate?
You can request a quote for 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for 1-O-tert-butyl 4-O-ethyl (4S)-5-oxoazepane-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.