(3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
TL;DR: (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate (CAS 478259-16-4) is a chemical compound with molecular formula C16H9BrCl2O4 and molecular weight 413.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
Also Known As: (3,5-dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate, (3,5-dichlorophenyl) 3-(6-bromobenzo[1,3]dioxol-5-yl)prop-2-enoate, 3,5-dichlorophenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate
| Molecular Formula | C16H9BrCl2O4 |
|---|---|
| Molecular Weight | 413.91 g/mol |
| LogP | 5.1034 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.90613 |
| Heavy Atoms | 23 |
| Complexity | 784.65753 |
Chemical Identifiers
| CAS Number | 478259-16-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OC3=CC(=CC(=C3)Cl)Cl)Br |
Product Overview
(3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate (CAS 478259-16-4), with molecular formula C16H9BrCl2O4 and molecular weight 413.91 g/mol. IUPAC: (3,5-dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate.
Chemical Property Profile of (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
Property Insights of (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
The XLogP value of 5.1034 indicates that (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate?
The CAS number of (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate is 478259-16-4.
What is the molecular formula of (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate?
The molecular formula of (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate is C16H9BrCl2O4.
What is the molecular weight of (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate?
The molecular weight of (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate is 413.91 g/mol.
Where can I buy (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate?
You can request a quote for (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dichlorophenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.