![methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate structure](/static/products/3485/348576-68-1.webp)
methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate
TL;DR: methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate (CAS 348576-68-1) is a chemical compound with molecular formula C22H18BrClN2O7 and molecular weight 536.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-ethoxyphenoxy]acetate
Also Known As: methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate, (E)-methyl 2-(2-bromo-4-((1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-6-ethoxyphenoxy)acetate, methyl 2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-ethoxyphenoxy]acetate
| Molecular Formula | C22H18BrClN2O7 |
|---|---|
| Molecular Weight | 536.00 g/mol |
| LogP | 3.7194 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.9986 |
| Heavy Atoms | 33 |
| Complexity | 1148.1785 |
Chemical Identifiers
| CAS Number | 348576-68-1 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCC(=O)OC |
Product Overview
methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate (CAS 348576-68-1), with molecular formula C22H18BrClN2O7 and molecular weight 536.00 g/mol. IUPAC: methyl 2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-ethoxyphenoxy]acetate.
Chemical Property Profile of methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate
Property Insights of methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate
The XLogP value of 3.7194 indicates that methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate. Following Lipinski's Rule of Five, methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate?
The CAS number of methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate is 348576-68-1.
What is the molecular formula of methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate?
The molecular formula of methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate is C22H18BrClN2O7.
What is the molecular weight of methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate?
The molecular weight of methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate is 536.00 g/mol.
Where can I buy methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate?
You can request a quote for methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.