Cycloheptanone
TL;DR: Cycloheptanone (CAS 502-42-1) is a chemical compound with molecular formula C7H12O and molecular weight 112.08881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cycloheptanone
Also Known As: CYCLOHEPTANONE, Ketocycloheptane, Suberone, Suberon, Ketoheptamethylene
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O |
| Molecular Weight | 112.08881 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.08881 Da |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
| Boiling Point | 178.5-179.5 @ 760 MM HG |
| Density | 0.9508 @ 20 °C/4 °C |
| Refractive Index | INDEX OF REFRACTION: 1.4608 @ 20 °C; MAX ABSORPTION (ALCOHOL): 285 NM (LOG E= 1.30) |
| Solubility | INSOL IN WATER; SOL IN ETHER, VERY SOL IN ALCOHOL |
| SMILES | C1CCCC(=O)CC1 |
| InChIKey | CGZZMOTZOONQIA-UHFFFAOYSA-N |
Product Description
Applications: Cycloheptanone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cycloheptanone (CAS 502-42-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Cycloheptanone is a heterocyclic building block identified by CAS number 502-42-1 and the molecular formula C7H12O and a molecular weight of 112.09 g/mol. Physically, the compound has a density of 0.9508 @ 20 °C/4 °C g/cm³, a solubility: INSOL IN WATER; SOL IN ETHER, VERY SOL IN ALCOHOL. It is also known as CYCLOHEPTANONE and Ketocycloheptane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Cycloheptanone
Property Insights of Cycloheptanone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloheptanone. With a topological polar surface area (TPSA) of 17.1 Ų, Cycloheptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloheptanone 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 Cycloheptanone?
The CAS number of Cycloheptanone is 502-42-1.
What is the molecular formula of Cycloheptanone?
The molecular formula of Cycloheptanone is C7H12O.
What is the molecular weight of Cycloheptanone?
The molecular weight of Cycloheptanone is 112.08881 g/mol.
What are the applications of Cycloheptanone?
Cycloheptanone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cycloheptanone...
Where can I buy Cycloheptanone?
You can request a quote for Cycloheptanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cycloheptanone?
Yes, CoreyChem provides custom synthesis services for Cycloheptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.