3,5-Cycloheptadien-1-one
TL;DR: 3,5-Cycloheptadien-1-one (CAS 1121-65-9) is a chemical compound with molecular formula C1C=CC=CCC1=O and molecular weight 108.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohepta-3,5-dien-1-one
Also Known As: 3,5-Cycloheptadien-1-one, cyclohepta-3,5-dien-1-one, 3,5-Cycloheptadienone
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C1C=CC=CCC1=O |
| Molecular Weight | 108.05752 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.05752 Da |
| Heavy Atoms | 8 |
| Complexity | 126.0 |
| SMILES | C1C=CC=CCC1=O |
| InChIKey | UNELZWLTCBQRGC-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Cycloheptadien-1-one
Property Insights of 3,5-Cycloheptadien-1-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Cycloheptadien-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3,5-Cycloheptadien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Cycloheptadien-1-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
What is the CAS number of 3,5-Cycloheptadien-1-one?
The CAS number of 3,5-Cycloheptadien-1-one is 1121-65-9.
What is the molecular formula of 3,5-Cycloheptadien-1-one?
The molecular formula of 3,5-Cycloheptadien-1-one is C1C=CC=CCC1=O.
What is the molecular weight of 3,5-Cycloheptadien-1-one?
The molecular weight of 3,5-Cycloheptadien-1-one is 108.05752 g/mol.
Where can I buy 3,5-Cycloheptadien-1-one?
You can request a quote for 3,5-Cycloheptadien-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Cycloheptadien-1-one?
Yes, CoreyChem provides custom synthesis services for 3,5-Cycloheptadien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.