![methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate structure](/static/products/3473/347395-89-5.webp)
methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate
TL;DR: methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate (CAS 347395-89-5) is a chemical compound with molecular formula C25H26N2O7 and molecular weight 466.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate
Also Known As: methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate, (E)-methyl 2-(4-((1-(4-(tert-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxyphenoxy)acetate, methyl 2-[4-[(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate
| Molecular Formula | C25H26N2O7 |
|---|---|
| Molecular Weight | 466.17 g/mol |
| LogP | 3.2109 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.174 |
| Heavy Atoms | 34 |
| Complexity | 1160.7769 |
Chemical Identifiers
| CAS Number | 347395-89-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)OC)OC)/C(=O)NC2=O |
Product Overview
methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate (CAS 347395-89-5), with molecular formula C25H26N2O7 and molecular weight 466.17 g/mol. IUPAC: methyl 2-[4-[(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate.
Chemical Property Profile of methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate
Property Insights of methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate
The XLogP value of 3.2109 indicates that methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)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 (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate. Following Lipinski's Rule of Five, methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate has 1 hydrogen bond donor(s) and 7 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 methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate?
The CAS number of methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate is 347395-89-5.
What is the molecular formula of methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate?
The molecular formula of methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate is C25H26N2O7.
What is the molecular weight of methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate?
The molecular weight of methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate is 466.17 g/mol.
Where can I buy methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate?
You can request a quote for methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.