5-Bromo-6-(chloromethyl)-1,3-dioxaindane
TL;DR: 5-Bromo-6-(chloromethyl)-1,3-dioxaindane (CAS 64603-67-4) is a chemical compound with molecular formula C8H6BrClO2 and molecular weight 247.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-6-(chloromethyl)-1,3-benzodioxole
Also Known As: 5-Bromo-6-(chloromethyl)benzo[d][1,3]dioxole, 5-bromo-6-(chloromethyl)-1,3-benzodioxole, 5-bromo-6-(chloromethyl)-1,3-dioxaindane, 5-bromo-6-(chloromethyl)-2H-1,3-benzodioxole, 5-BROMO-6- -1,3-BENZODIOXOLE
| Molecular Formula | C8H6BrClO2 |
|---|---|
| Molecular Weight | 247.92 g/mol |
| LogP | 2.9166 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.92397 |
| Heavy Atoms | 12 |
| Complexity | 313.42133 |
Chemical Identifiers
| CAS Number | 64603-67-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CCl)Br |
Product Overview
5-Bromo-6-(chloromethyl)-1,3-dioxaindane (CAS 64603-67-4), with molecular formula C8H6BrClO2 and molecular weight 247.92 g/mol. IUPAC: 5-bromo-6-(chloromethyl)-1,3-benzodioxole.
Chemical Property Profile of 5-Bromo-6-(chloromethyl)-1,3-dioxaindane
Property Insights of 5-Bromo-6-(chloromethyl)-1,3-dioxaindane
The XLogP value of 2.9166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-6-(chloromethyl)-1,3-dioxaindane. With a topological polar surface area (TPSA) of 18.46 Ų, 5-Bromo-6-(chloromethyl)-1,3-dioxaindane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-6-(chloromethyl)-1,3-dioxaindane 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 5-Bromo-6-(chloromethyl)-1,3-dioxaindane?
The CAS number of 5-Bromo-6-(chloromethyl)-1,3-dioxaindane is 64603-67-4.
What is the molecular formula of 5-Bromo-6-(chloromethyl)-1,3-dioxaindane?
The molecular formula of 5-Bromo-6-(chloromethyl)-1,3-dioxaindane is C8H6BrClO2.
What is the molecular weight of 5-Bromo-6-(chloromethyl)-1,3-dioxaindane?
The molecular weight of 5-Bromo-6-(chloromethyl)-1,3-dioxaindane is 247.92 g/mol.
Where can I buy 5-Bromo-6-(chloromethyl)-1,3-dioxaindane?
You can request a quote for 5-Bromo-6-(chloromethyl)-1,3-dioxaindane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-6-(chloromethyl)-1,3-dioxaindane?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-6-(chloromethyl)-1,3-dioxaindane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.