![(2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid structure](/static/products/3473/347379-90-2.webp)
(2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid
TL;DR: (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid (CAS 347379-90-2) is a chemical compound with molecular formula C23H21BrN2O7 and molecular weight 516.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-ethoxyphenoxy]acetic acid
Also Known As: (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid, (E)-2-(2-bromo-4-((1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-6-ethoxyphenoxy)acetic acid, 2-[2-bromo-4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-ethoxyphenoxy]acetic acid
| Molecular Formula | C23H21BrN2O7 |
|---|---|
| Molecular Weight | 516.05 g/mol |
| LogP | 3.59444 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.0532 |
| Heavy Atoms | 33 |
| Complexity | 1169.3226 |
Chemical Identifiers
| CAS Number | 347379-90-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)Br)OCC(=O)O |
Product Overview
(2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid (CAS 347379-90-2), with molecular formula C23H21BrN2O7 and molecular weight 516.05 g/mol. IUPAC: 2-[2-bromo-4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-ethoxyphenoxy]acetic acid.
Chemical Property Profile of (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid
Property Insights of (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid
The XLogP value of 3.59444 indicates that (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid. Following Lipinski's Rule of Five, (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid?
The CAS number of (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid is 347379-90-2.
What is the molecular formula of (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid?
The molecular formula of (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid is C23H21BrN2O7.
What is the molecular weight of (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid?
The molecular weight of (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid is 516.05 g/mol.
Where can I buy (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid?
You can request a quote for (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.