![4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione structure](/static/products/1165/116539-05-0.webp)
4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione
TL;DR: 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione (CAS 116539-05-0) is a chemical compound with molecular formula C16H10O4 and molecular weight 266.05792 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,15-dioxatetracyclo[7.7.2.05,17.013,18]octadeca-1(17),2,4,9,11,13(18)-hexaene-6,16-dione
Also Known As: [?]dione|NCI60_007928|4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione|4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepin-4,12(10H)-dione|NSC625536|CHEMBL1995995
Technical Specifications
| Molecular Formula | C16H10O4 |
| Molecular Weight | 266.05792 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.05792 Da |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
| SMILES | C1C2=C3C(=CC=C2)COC(=O)C4=CC=CC(=C43)C(=O)O1 |
| InChIKey | XFDQQQOSZNADKI-UHFFFAOYSA-N |
Chemical Property Profile of 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione
Property Insights of 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione?
The CAS number of 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione is 116539-05-0.
What is the molecular formula of 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione?
The molecular formula of 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione is C16H10O4.
What is the molecular weight of 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione?
The molecular weight of 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione is 266.05792 g/mol.
Where can I buy 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione?
You can request a quote for 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione?
Yes, CoreyChem provides custom synthesis services for 4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.