1,3-Bishomocubanone
TL;DR: 1,3-Bishomocubanone (CAS 15584-52-8) is a chemical compound with molecular formula C10H10O and molecular weight 146.07317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one
Also Known As: 1,3-Bishomocubanone, 1,2,4-Metheno-3H-cyclobuta[cd]pentalen-3-one, octahydro-, pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one, Octahydro-1,2,4-metheno-3H-cyclobuta [cd] pentalen-3-one, Octahydro-1,2,4-metheno-3H-cyclobuta(cd)pentalen-3-one
Technical Specifications
| Molecular Formula | C10H10O |
| Molecular Weight | 146.07317 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.07317 Da |
| Heavy Atoms | 11 |
| Complexity | 308.0 |
| SMILES | C1C2C3C4C1C5C2C3C4C5=O |
| InChIKey | KIOXQCAVQTVNCR-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Bishomocubanone
Property Insights of 1,3-Bishomocubanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bishomocubanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1,3-Bishomocubanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bishomocubanone 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 1,3-Bishomocubanone?
The CAS number of 1,3-Bishomocubanone is 15584-52-8.
What is the molecular formula of 1,3-Bishomocubanone?
The molecular formula of 1,3-Bishomocubanone is C10H10O.
What is the molecular weight of 1,3-Bishomocubanone?
The molecular weight of 1,3-Bishomocubanone is 146.07317 g/mol.
Where can I buy 1,3-Bishomocubanone?
You can request a quote for 1,3-Bishomocubanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Bishomocubanone?
Yes, CoreyChem provides custom synthesis services for 1,3-Bishomocubanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.