2-(3-Bromopropyl)cyclohexanone
TL;DR: 2-(3-Bromopropyl)cyclohexanone (CAS 104759-33-3) is a chemical compound with molecular formula C9H15BrO and molecular weight 218.03062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-bromopropyl)cyclohexan-1-one
Also Known As: 2-(3-bromopropyl)cyclohexanone, 2-(3-bromopropyl)cyclohexan-1-one, 3-Cyclohexen-1-essigsaeure, 2-(3-bromopropyl)-cyclohexanone, Cyclohexanone,2-(3-bromopropyl)-
Technical Specifications
| Molecular Formula | C9H15BrO |
| Molecular Weight | 218.03062 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.03062 Da |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
| SMILES | C1CCC(=O)C(C1)CCCBr |
| InChIKey | OLMCYFADRPVNFB-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Bromopropyl)cyclohexanone
Property Insights of 2-(3-Bromopropyl)cyclohexanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Bromopropyl)cyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-(3-Bromopropyl)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Bromopropyl)cyclohexanone 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 2-(3-Bromopropyl)cyclohexanone?
The CAS number of 2-(3-Bromopropyl)cyclohexanone is 104759-33-3.
What is the molecular formula of 2-(3-Bromopropyl)cyclohexanone?
The molecular formula of 2-(3-Bromopropyl)cyclohexanone is C9H15BrO.
What is the molecular weight of 2-(3-Bromopropyl)cyclohexanone?
The molecular weight of 2-(3-Bromopropyl)cyclohexanone is 218.03062 g/mol.
Where can I buy 2-(3-Bromopropyl)cyclohexanone?
You can request a quote for 2-(3-Bromopropyl)cyclohexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Bromopropyl)cyclohexanone?
Yes, CoreyChem provides custom synthesis services for 2-(3-Bromopropyl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.