7-Oxoazepan-4-yl benzoate
TL;DR: 7-Oxoazepan-4-yl benzoate (CAS 83661-89-6) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7-oxoazepan-4-yl) benzoate
Also Known As: 7-oxoazepan-4-yl benzoate, (7-oxoazepan-4-yl) benzoate
Technical Specifications
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.1052 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1052 Da |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
| SMILES | C1CC(=O)NCCC1OC(=O)C2=CC=CC=C2 |
| InChIKey | NKTUAMLDUVGTJQ-UHFFFAOYSA-N |
Chemical Property Profile of 7-Oxoazepan-4-yl benzoate
Property Insights of 7-Oxoazepan-4-yl benzoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxoazepan-4-yl benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, 7-Oxoazepan-4-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxoazepan-4-yl benzoate 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 7-Oxoazepan-4-yl benzoate?
The CAS number of 7-Oxoazepan-4-yl benzoate is 83661-89-6.
What is the molecular formula of 7-Oxoazepan-4-yl benzoate?
The molecular formula of 7-Oxoazepan-4-yl benzoate is C13H15NO3.
What is the molecular weight of 7-Oxoazepan-4-yl benzoate?
The molecular weight of 7-Oxoazepan-4-yl benzoate is 233.1052 g/mol.
Where can I buy 7-Oxoazepan-4-yl benzoate?
You can request a quote for 7-Oxoazepan-4-yl benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Oxoazepan-4-yl benzoate?
Yes, CoreyChem provides custom synthesis services for 7-Oxoazepan-4-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.