Benzyl 3-aminoazepane-1-carboxylate
TL;DR: Benzyl 3-aminoazepane-1-carboxylate (CAS 1270498-27-5) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 3-aminoazepane-1-carboxylate
Also Known As: Benzyl 3-aminoazepane-1-carboxylate, 3-Amino-1-Cbz-azepane, Benzyl3-aminoazepane-1-carboxylate, 1H-Azepine-1-carboxylic acid, 3-aMinohexahydro-, phenylMethyl ester
Technical Specifications
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.15248 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.15248 Da |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
| SMILES | C1CCN(CC(C1)N)C(=O)OCC2=CC=CC=C2 |
| InChIKey | BBWRUGPUIXQPOR-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl 3-aminoazepane-1-carboxylate
Property Insights of Benzyl 3-aminoazepane-1-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-aminoazepane-1-carboxylate. With a topological polar surface area (TPSA) of 55.6 Ų, Benzyl 3-aminoazepane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-aminoazepane-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 Benzyl 3-aminoazepane-1-carboxylate?
The CAS number of Benzyl 3-aminoazepane-1-carboxylate is 1270498-27-5.
What is the molecular formula of Benzyl 3-aminoazepane-1-carboxylate?
The molecular formula of Benzyl 3-aminoazepane-1-carboxylate is C14H20N2O2.
What is the molecular weight of Benzyl 3-aminoazepane-1-carboxylate?
The molecular weight of Benzyl 3-aminoazepane-1-carboxylate is 248.15248 g/mol.
Where can I buy Benzyl 3-aminoazepane-1-carboxylate?
You can request a quote for Benzyl 3-aminoazepane-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 3-aminoazepane-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Benzyl 3-aminoazepane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.