Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)-
TL;DR: Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)- (CAS 90998-36-0) is a chemical compound with molecular formula C17H15BrO5 and molecular weight 378.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)ethanone
Also Known As: Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)-, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)ethanone, 2-bromo-4,5-dimethoxybenzyl 3,4-methylenedioxyphenyl ketone, 1-(2H-1,3-Benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)ethan-1-one
| Molecular Formula | C17H15BrO5 |
|---|---|
| Molecular Weight | 378.01 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.01028 |
| Heavy Atoms | 23 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 90998-36-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC(=O)C2=CC3=C(C=C2)OCO3)Br)OC |
| InChIKey | JMXIHWDJGRMAQC-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)- (CAS 90998-36-0), with molecular formula C17H15BrO5 and molecular weight 378.01 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)ethanone.
Chemical Property Profile of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)-
Property Insights of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)-
The XLogP value of 3.6 indicates that Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)- has 0 hydrogen bond donor(s) and 5 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 Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)-?
The CAS number of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)- is 90998-36-0.
What is the molecular formula of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)-?
The molecular formula of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)- is C17H15BrO5.
What is the molecular weight of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)-?
The molecular weight of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)- is 378.01 g/mol.
Where can I buy Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)-?
You can request a quote for Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.