![1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid structure](/static/products/1559/155905-76-3.webp)
1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid
TL;DR: 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid (CAS 155905-76-3) is a chemical compound with molecular formula C12H21NO4 and molecular weight 243.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
Also Known As: 1-(tert-butoxycarbonyl)azepane-2-carboxylic acid, 1-Boc-azepane-2-carboxylic acid, Azepane-1,2-dicarboxylic acid 1-tert-butyl ester, 1-[(tert-butoxy)carbonyl]azepane-2-carboxylic acid, (R)-1-Boc-azepane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.14706 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.14706 Da |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
| SMILES | CC(C)(C)OC(=O)N1CCCCCC1C(=O)O |
| InChIKey | BKMVFOKQLCHCPK-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid
Property Insights of 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid. Following Lipinski's Rule of Five, 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid 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 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid?
The CAS number of 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid is 155905-76-3.
What is the molecular formula of 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid?
The molecular formula of 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid is C12H21NO4.
What is the molecular weight of 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid?
The molecular weight of 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid is 243.14706 g/mol.
Where can I buy 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid?
You can request a quote for 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.