![1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one structure](/static/products/1176/117694-76-5.webp)
1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one
TL;DR: 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one (CAS 117694-76-5) is a chemical compound with molecular formula C16H27NO and molecular weight 249.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,7-dimethylocta-2,6-dienyl)azepan-2-one
Also Known As: 1-Gacho, 1-Geranylazacycloheptan-2-one, 1-(3,7-dimethylocta-2,6-dienyl)azepan-2-one, 1-(3,7-Dimethylocta-2,6-dien-1-yl)azepan-2-one, 2H-Azepin-2-one,1-(3,7-dimethyl-2,6-octadien-1-yl)hexahydro-
| Molecular Formula | C16H27NO |
|---|---|
| Molecular Weight | 249.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.20926 |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 117694-76-5 |
|---|---|
| SMILES | CC(=CCCC(=CCN1CCCCCC1=O)C)C |
| InChIKey | IZUPQLMOLYRSQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one (CAS 117694-76-5), with molecular formula C16H27NO and molecular weight 249.21 g/mol. IUPAC: 1-(3,7-dimethylocta-2,6-dienyl)azepan-2-one.
Chemical Property Profile of 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one
Property Insights of 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one
The XLogP value of 3.9 indicates that 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one?
The CAS number of 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one is 117694-76-5.
What is the molecular formula of 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one?
The molecular formula of 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one is C16H27NO.
What is the molecular weight of 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one?
The molecular weight of 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one is 249.21 g/mol.
Where can I buy 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one?
You can request a quote for 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]azepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.