3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine
TL;DR: 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine (CAS 322408-29-7) is a chemical compound with molecular formula C12H15BrO2 and molecular weight 270.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromopropan-2-yl)-1,5-dihydro-2,4-benzodioxepine
Also Known As: 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine, bromomethylethyldihydrobenzodioxepine, 3-(2-Bromopropan-2-yl)-1,5-dihydrobenzo[e][1,3]dioxepine, 3-(2-bromopropan-2-yl)-3,5-dihydro-1H-2,4-benzodioxepine, 3-(2-bromopropan-2-yl)-1,5-dihydro-2,4-benzodioxepine
| Molecular Formula | C12H15BrO2 |
|---|---|
| Molecular Weight | 270.03 g/mol |
| LogP | 3.233 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.02554 |
| Heavy Atoms | 15 |
| Complexity | 316.72052 |
Chemical Identifiers
| CAS Number | 322408-29-7 |
|---|---|
| SMILES | CC(C)(C1OCC2=CC=CC=C2CO1)Br |
Product Overview
3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine (CAS 322408-29-7), with molecular formula C12H15BrO2 and molecular weight 270.03 g/mol. IUPAC: 3-(2-bromopropan-2-yl)-1,5-dihydro-2,4-benzodioxepine.
Chemical Property Profile of 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine
Property Insights of 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine
The XLogP value of 3.233 indicates that 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-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 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine?
The CAS number of 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine is 322408-29-7.
What is the molecular formula of 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine?
The molecular formula of 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine is C12H15BrO2.
What is the molecular weight of 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine?
The molecular weight of 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine is 270.03 g/mol.
Where can I buy 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine?
You can request a quote for 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Bromo-1-methylethyl)-1,5-dihydro-2,4-benzodioxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.