![tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate structure](/static/products/134/134003-84-2.webp)
tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
TL;DR: tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (CAS 134003-84-2) is a chemical compound with molecular formula C10H18N2O2 and molecular weight 198.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Also Known As: tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, (1R,4R);-tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Technical Specifications
| Molecular Formula | C10H18N2O2 |
| Molecular Weight | 198.13683 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.13683 Da |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
| SMILES | CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2 |
| InChIKey | UXAWXZDXVOYLII-SFYZADRCSA-N |
Chemical Property Profile of tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Property Insights of tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate. With a topological polar surface area (TPSA) of 41.6 Ų, tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-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 (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The CAS number of tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate is 134003-84-2.
What is the molecular formula of tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The molecular formula of tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate is C10H18N2O2.
What is the molecular weight of tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The molecular weight of tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate is 198.13683 g/mol.
Where can I buy tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
You can request a quote for tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl (1S,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.