3-(3-Pentynyl)-2-azepanone
TL;DR: 3-(3-Pentynyl)-2-azepanone (CAS 124943-52-8) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-pent-3-ynylazepan-2-one
Also Known As: 3-pent-3-ynylazepan-2-one, 3-(3-Pentynyl)-2-azepanone, 3-(pent-3-yn-1-yl)azepan-2-one, 3-(3-Pentynyl)-hexahydro-2H-azepin-2-one
Technical Specifications
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.13101 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.13101 Da |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
| SMILES | CC#CCCC1CCCCNC1=O |
| InChIKey | YCJQOEYBEOZSQI-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Pentynyl)-2-azepanone
Property Insights of 3-(3-Pentynyl)-2-azepanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Pentynyl)-2-azepanone. With a topological polar surface area (TPSA) of 29.1 Ų, 3-(3-Pentynyl)-2-azepanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Pentynyl)-2-azepanone has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(3-Pentynyl)-2-azepanone?
The CAS number of 3-(3-Pentynyl)-2-azepanone is 124943-52-8.
What is the molecular formula of 3-(3-Pentynyl)-2-azepanone?
The molecular formula of 3-(3-Pentynyl)-2-azepanone is C11H17NO.
What is the molecular weight of 3-(3-Pentynyl)-2-azepanone?
The molecular weight of 3-(3-Pentynyl)-2-azepanone is 179.13101 g/mol.
Where can I buy 3-(3-Pentynyl)-2-azepanone?
You can request a quote for 3-(3-Pentynyl)-2-azepanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Pentynyl)-2-azepanone?
Yes, CoreyChem provides custom synthesis services for 3-(3-Pentynyl)-2-azepanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.