![(E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea structure](/static/products/858/858751-79-8.png)
(E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea
TL;DR: (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea (CAS 858751-79-8) is a chemical compound with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[7-methoxy-6-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-benzodioxol-5-yl]ethyl]-1-methyl-3-phenylurea
Also Known As: (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea, 1-(2-{7-methoxy-6-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]-1,3-benzodioxol-5-yl}ethyl)-1-methyl-3-phenylurea, 1-[2-[7-methoxy-6-(3-oxo-3-phenyl-prop-1-enyl)benzo[1,3]dioxol-5-yl]ethyl]-1-methyl-3-phenyl-urea, 1-[2-[7-methoxy-6-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-benzodioxol-5-yl]ethyl]-1-methyl-3-phenylurea
| Molecular Formula | C27H26N2O5 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 5.0264 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.18417 |
| Heavy Atoms | 34 |
| Complexity | 1192.6472 |
Chemical Identifiers
| CAS Number | 858751-79-8 |
|---|---|
| SMILES | CN(CCC1=CC2=C(C(=C1/C=C/C(=O)C3=CC=CC=C3)OC)OCO2)C(=O)NC4=CC=CC=C4 |
Product Overview
(E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea (CAS 858751-79-8), with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol. IUPAC: 1-[2-[7-methoxy-6-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-benzodioxol-5-yl]ethyl]-1-methyl-3-phenylurea.
Chemical Property Profile of (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea
Property Insights of (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea
The XLogP value of 5.0264 indicates that (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea. Following Lipinski's Rule of Five, (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea?
The CAS number of (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea is 858751-79-8.
What is the molecular formula of (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea?
The molecular formula of (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea is C27H26N2O5.
What is the molecular weight of (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea?
The molecular weight of (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea is 458.18 g/mol.
Where can I buy (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea?
You can request a quote for (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(2-(7-methoxy-6-(3-oxo-3-phenylprop-1-en-1-yl)benzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.