![3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one structure](/static/products/118/118112-18-8.webp)
3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
TL;DR: 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one (CAS 118112-18-8) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
Also Known As: 3,5-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one, AN-967/15488097, 3,5-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
Technical Specifications
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.06299 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.06299 Da |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
| SMILES | COC1=CC2=C(C(=O)C2)C(=C1)OC |
| InChIKey | ZKJZNVPLZBONJR-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
Property Insights of 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one. With a topological polar surface area (TPSA) of 35.5 Ų, 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one has 0 hydrogen bond donor(s) and 3 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-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
The CAS number of 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one is 118112-18-8.
What is the molecular formula of 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
The molecular formula of 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one is C10H10O3.
What is the molecular weight of 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
The molecular weight of 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one is 178.06299 g/mol.
Where can I buy 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
You can request a quote for 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
Yes, CoreyChem provides custom synthesis services for 3,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.