Tert-butyl 1,4-diazepane-1-carboxylate
TL;DR: Tert-butyl 1,4-diazepane-1-carboxylate (CAS 112828-00-9) is a chemical compound with molecular formula C10H20N2O2 and molecular weight 200.15248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 1,4-diazepane-1-carboxylate
Also Known As: 1-Boc-homopiperazine, tert-butyl 1,4-diazepane-1-carboxylate, 1-Boc-hexahydro-1,4-diazepine, calcipotriene, 1-Boc-1,4-diazepane
Technical Specifications
| Molecular Formula | C10H20N2O2 |
| Molecular Weight | 200.15248 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.15248 Da |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
| SMILES | CC(C)(C)OC(=O)N1CCCNCC1 |
| InChIKey | WDPWEXWMQDRXAL-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 1,4-diazepane-1-carboxylate
Property Insights of Tert-butyl 1,4-diazepane-1-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 1,4-diazepane-1-carboxylate. With a topological polar surface area (TPSA) of 41.6 Ų, Tert-butyl 1,4-diazepane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 1,4-diazepane-1-carboxylate has 1 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 1,4-diazepane-1-carboxylate?
The CAS number of Tert-butyl 1,4-diazepane-1-carboxylate is 112828-00-9.
What is the molecular formula of Tert-butyl 1,4-diazepane-1-carboxylate?
The molecular formula of Tert-butyl 1,4-diazepane-1-carboxylate is C10H20N2O2.
What is the molecular weight of Tert-butyl 1,4-diazepane-1-carboxylate?
The molecular weight of Tert-butyl 1,4-diazepane-1-carboxylate is 200.15248 g/mol.
Where can I buy Tert-butyl 1,4-diazepane-1-carboxylate?
You can request a quote for Tert-butyl 1,4-diazepane-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-butyl 1,4-diazepane-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 1,4-diazepane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.