![2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone structure](/static/products/136/136498-27-6.webp)
2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone
TL;DR: 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone (CAS 136498-27-6) is a chemical compound with molecular formula C17H16O5 and molecular weight 300.09976 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-dihydroxyphenyl)ethanone
Also Known As: IFLab1_000560, IDI1_008779, 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone, 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone
Technical Specifications
| Molecular Formula | C17H16O5 |
| Molecular Weight | 300.09976 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.09976 Da |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
| SMILES | C1COC2=C(C=C(C=C2)CC(=O)C3=C(C=C(C=C3)O)O)OC1 |
| InChIKey | BCXSHRQOXUCWTE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone
Property Insights of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone
The XLogP value of 3.1 indicates that 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone has 2 hydrogen bond donor(s) and 5 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-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone?
The CAS number of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone is 136498-27-6.
What is the molecular formula of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone?
The molecular formula of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone is C17H16O5.
What is the molecular weight of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone?
The molecular weight of 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone is 300.09976 g/mol.
Where can I buy 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone?
You can request a quote for 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)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-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-(2,4-dihydroxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.