6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine
TL;DR: 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine (CAS 853723-85-0) is a chemical compound with molecular formula C10H10Cl2O2 and molecular weight 232.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine
Also Known As: 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine, 6-chloro-8-(chloromethyl)-2H,3H,4H-benzo[b]1,4-dioxepin
| Molecular Formula | C10H10Cl2O2 |
|---|---|
| Molecular Weight | 232.01 g/mol |
| LogP | 3.2401 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.00578 |
| Heavy Atoms | 14 |
| Complexity | 339.13904 |
Chemical Identifiers
| CAS Number | 853723-85-0 |
|---|---|
| SMILES | C1COC2=C(C(=CC(=C2)CCl)Cl)OC1 |
Product Overview
6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine (CAS 853723-85-0), with molecular formula C10H10Cl2O2 and molecular weight 232.01 g/mol. IUPAC: 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine.
Chemical Property Profile of 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine
Property Insights of 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine
The XLogP value of 3.2401 indicates that 6-chloro-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, 6-chloro-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, 6-chloro-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 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine?
The CAS number of 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine is 853723-85-0.
What is the molecular formula of 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine?
The molecular formula of 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine is C10H10Cl2O2.
What is the molecular weight of 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine?
The molecular weight of 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine is 232.01 g/mol.
Where can I buy 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine?
You can request a quote for 6-chloro-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 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-8-(chloromethyl)-3,4-dihydro-2H-1,5-benzodioxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.