tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate
TL;DR: tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate (CAS 125736-16-5) is a chemical compound with molecular formula C16H26N2O3 and molecular weight 294.19434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (1R)-2-(dimethylcarbamoyl)-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate
Also Known As: tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate, Tert-butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate, tert-butyl (1R)-2-(dimethylcarbamoyl)-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate, tert-Butyl 2-(dimethylcarbamoyl)-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate
Technical Specifications
| Molecular Formula | C16H26N2O3 |
| Molecular Weight | 294.19434 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.19434 Da |
| Heavy Atoms | 21 |
| Complexity | 463.0 |
| SMILES | CC(C)(C)OC(=O)N1[C@@H]2CCC1CCC=C2C(=O)N(C)C |
| InChIKey | XIRUHGJETCHXJC-GLGOKHISSA-N |
Chemical Property Profile of tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate
Property Insights of tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate. With a topological polar surface area (TPSA) of 49.9 Ų, tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate?
The CAS number of tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate is 125736-16-5.
What is the molecular formula of tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate?
The molecular formula of tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate is C16H26N2O3.
What is the molecular weight of tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate?
The molecular weight of tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate is 294.19434 g/mol.
Where can I buy tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate?
You can request a quote for tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl (6R)-5-(dimethylcarbamoyl)-9-azabicyclo(4.2.1)non-4-ene-9-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.