2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone
TL;DR: 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone (CAS 690632-75-8) 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.
2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanone
Also Known As: 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone, 2-BROMO-1- -1-ETHANONE, 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanone, 2-Bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-ethanone, I14-63393
| Molecular Formula | C11H11BrO3 |
|---|---|
| Molecular Weight | 269.99 g/mol |
| LogP | 2.4255 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.98917 |
| Heavy Atoms | 15 |
| Complexity | 376.09583 |
Chemical Identifiers
| CAS Number | 690632-75-8 |
|---|---|
| SMILES | C1COC2=CC=CC(=C2OC1)C(=O)CBr |
Product Overview
2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone (CAS 690632-75-8), with molecular formula C11H11BrO3 and molecular weight 269.99 g/mol. IUPAC: 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanone.
Chemical Property Profile of 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone
Property Insights of 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone
The XLogP value of 2.4255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone. With a topological polar surface area (TPSA) of 35.53 Ų, 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-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
Frequently Asked Questions
What is the CAS number of 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone?
The CAS number of 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone is 690632-75-8.
What is the molecular formula of 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone?
The molecular formula of 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone is C11H11BrO3.
What is the molecular weight of 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone?
The molecular weight of 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone is 269.99 g/mol.
Where can I buy 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone?
You can request a quote for 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.