![4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one structure](/static/products/814/81447-58-7.png)
4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
TL;DR: 4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one (CAS 81447-58-7) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
Also Known As: 4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one, NCI60_019125, AN-967/15488102, 4,5-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 81447-58-7 |
|---|---|
| SMILES | COC1=C(C2=C(CC2=O)C=C1)OC |
| InChIKey | CHFTXHFESMZGGM-UHFFFAOYSA-N |
Product Overview
4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one (CAS 81447-58-7), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 4,5-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one.
Chemical Property Profile of 4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
Property Insights of 4,5-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 4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one. With a topological polar surface area (TPSA) of 35.5 Ų, 4,5-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, 4,5-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
Frequently Asked Questions
What is the CAS number of 4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
The CAS number of 4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one is 81447-58-7.
What is the molecular formula of 4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
The molecular formula of 4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one is C10H10O3.
What is the molecular weight of 4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
The molecular weight of 4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one is 178.06 g/mol.
Where can I buy 4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
You can request a quote for 4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-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.