7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine
TL;DR: 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine (CAS 893722-03-7) is a chemical compound with molecular formula C10H10BrClO2 and molecular weight 275.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine
Also Known As: 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine, 7-bromo-8-(chloromethyl)-2H,3H,4H-benzo[b]1,4-dioxepin, 9-bromo-10-(chloromethyl)-2,6-dioxabicyclo[5.4.0]undeca-8,10,12-triene
| Molecular Formula | C10H10BrClO2 |
|---|---|
| Molecular Weight | 275.96 g/mol |
| LogP | 3.3492 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.95526 |
| Heavy Atoms | 14 |
| Complexity | 341.13904 |
Chemical Identifiers
| CAS Number | 893722-03-7 |
|---|---|
| SMILES | C1COC2=C(C=C(C(=C2)CCl)Br)OC1 |
Product Overview
7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine (CAS 893722-03-7), with molecular formula C10H10BrClO2 and molecular weight 275.96 g/mol. IUPAC: 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine.
Chemical Property Profile of 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine
Property Insights of 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine
The XLogP value of 3.3492 indicates that 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-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, 7-bromo-8-(chloromethyl)-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-8-(chloromethyl)-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-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine?
The CAS number of 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine is 893722-03-7.
What is the molecular formula of 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine?
The molecular formula of 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine is C10H10BrClO2.
What is the molecular weight of 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine?
The molecular weight of 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine is 275.96 g/mol.
Where can I buy 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine?
You can request a quote for 7-bromo-8-(chloromethyl)-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-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine?
Yes, KEHONG BIO provides custom synthesis services for 7-bromo-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.