2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone
TL;DR: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone (CAS 169903-78-0) is a chemical compound with molecular formula C17H16O6 and molecular weight 316.0947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone
Also Known As: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone, 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethan-1-one, 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone
Technical Specifications
| Molecular Formula | C17H16O6 |
| Molecular Weight | 316.0947 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0947 Da |
| Heavy Atoms | 23 |
| Complexity | 402.0 |
| SMILES | C1COC2=C(C=C(C=C2)CC(=O)C3=C(C=C(C=C3O)O)O)OC1 |
| InChIKey | JRNMDVRPGUTXIV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone
Property Insights of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone has 3 hydrogen bond donor(s) and 6 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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone?
The CAS number of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone is 169903-78-0.
What is the molecular formula of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone?
The molecular formula of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone is C17H16O6.
What is the molecular weight of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone?
The molecular weight of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone is 316.0947 g/mol.
Where can I buy 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone?
You can request a quote for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.