![ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate structure](/static/products/4256/425661-91-2.webp)
ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate
TL;DR: ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate (CAS 425661-91-2) is a chemical compound with molecular formula C24H23ClN2O7 and molecular weight 486.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-chloro-4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-methoxyphenoxy]acetate
Also Known As: ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate, (E)-ethyl 2-(2-chloro-4-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-6-methoxyphenoxy)acetate, ETHYL 2-(2-CHLORO-4-{[1-(3,4-DIMETHYLPHENYL)-2,4,6-TRIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDEN]METHYL}-6-METHOXYPHENOXY)ACETATE, ethyl 2-(4-{[1-(3,4-dimethylphenyl)-2,4,6-trioxo(1,3-dihydropyrimidin-5-yliden e)]methyl}-2-chloro-6-methoxyphenoxy)acetate, ethyl 2-[2-chloro-4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-methoxyphenoxy]acetate
| Molecular Formula | C24H23ClN2O7 |
|---|---|
| Molecular Weight | 486.12 g/mol |
| LogP | 3.57374 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.1194 |
| Heavy Atoms | 34 |
| Complexity | 1206.0479 |
Chemical Identifiers
| CAS Number | 425661-91-2 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1Cl)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)C)OC |
Product Overview
ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate (CAS 425661-91-2), with molecular formula C24H23ClN2O7 and molecular weight 486.12 g/mol. IUPAC: ethyl 2-[2-chloro-4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-methoxyphenoxy]acetate.
Chemical Property Profile of ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate
Property Insights of ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate
The XLogP value of 3.57374 indicates that ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-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 ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate. Following Lipinski's Rule of Five, ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-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 ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate?
The CAS number of ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate is 425661-91-2.
What is the molecular formula of ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate?
The molecular formula of ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate is C24H23ClN2O7.
What is the molecular weight of ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate?
The molecular weight of ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate is 486.12 g/mol.
Where can I buy ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate?
You can request a quote for ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.