7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine
TL;DR: 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine (CAS 147644-11-9) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-3,4-dihydro-2H-1,5-benzodioxepine
Also Known As: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine, 7-Bromo-3,4-dihydro-2H-benzo[b][1,4]dioxepine, 2H-1,5-Benzodioxepin, 7-bromo-3,4-dihydro-, 7-bromo-2H,3H,4H-benzo[b]1,4-dioxepin, 7-BRMO-34-DIHYDRO-15-BENZOD 1G.
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.6104 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 285.85706 |
Chemical Identifiers
| CAS Number | 147644-11-9 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)Br)OC1 |
Product Overview
7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine (CAS 147644-11-9), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine.
Chemical Property Profile of 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine
Property Insights of 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine
The XLogP value of 2.6104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine. With a topological polar surface area (TPSA) of 18.46 Ų, 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine has 0 hydrogen bond donor(s) and 2 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 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine?
The CAS number of 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine is 147644-11-9.
What is the molecular formula of 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine?
The molecular formula of 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine is C9H9BrO2.
What is the molecular weight of 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine?
The molecular weight of 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine is 227.98 g/mol.
Where can I buy 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine?
You can request a quote for 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.