![2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone structure](/static/products/105/1050161-44-8.webp)
2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone
TL;DR: 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone (CAS 1050161-44-8) is a chemical compound with molecular formula C11H11ClO3 and molecular weight 226.03967 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
Also Known As: 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone, 2-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone, ASN 13704709, Z-0377, 2-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one
Technical Specifications
| Molecular Formula | C11H11ClO3 |
| Molecular Weight | 226.03967 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.03967 Da |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
| SMILES | C1COC2=C(C=C(C=C2)C(=O)CCl)OC1 |
| InChIKey | SPKGWHDVENEFOI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone
Property Insights of 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone 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 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone?
The CAS number of 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone is 1050161-44-8.
What is the molecular formula of 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone?
The molecular formula of 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone is C11H11ClO3.
What is the molecular weight of 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone?
The molecular weight of 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone is 226.03967 g/mol.
Where can I buy 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone?
You can request a quote for 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.