1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One
TL;DR: 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One (CAS 175136-35-3) is a chemical compound with molecular formula C11H11BrO3 and molecular weight 269.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone
Also Known As: Valtrate, 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One, 1-(8-Bromo-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)ethanone, AKOS BBS-00002856, 7-Acetyl-8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepine
| Molecular Formula | C11H11BrO3 |
|---|---|
| Molecular Weight | 269.99 g/mol |
| LogP | 2.813 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.98917 |
| Heavy Atoms | 15 |
| Complexity | 401.06467 |
Chemical Identifiers
| CAS Number | 175136-35-3 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1Br)OCCCO2 |
Product Overview
1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One (CAS 175136-35-3), with molecular formula C11H11BrO3 and molecular weight 269.99 g/mol. IUPAC: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone.
Chemical Property Profile of 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One
Property Insights of 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One
The XLogP value of 2.813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One. With a topological polar surface area (TPSA) of 35.53 Ų, 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-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 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One?
The CAS number of 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One is 175136-35-3.
What is the molecular formula of 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One?
The molecular formula of 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One is C11H11BrO3.
What is the molecular weight of 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One?
The molecular weight of 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One is 269.99 g/mol.
Where can I buy 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One?
You can request a quote for 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One?
Yes, KEHONG BIO provides custom synthesis services for 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.