![ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate structure](/static/products/3099/309948-40-1.webp)
ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate
TL;DR: ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate (CAS 309948-40-1) is a chemical compound with molecular formula C21H16Cl2N2O6 and molecular weight 462.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetate
Also Known As: ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate, (E)-ethyl 2-(2,6-dichloro-4-((2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetate, Ethyl 2-[2,6-dichloro-4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetate, ethyl 2-[2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetate
| Molecular Formula | C21H16Cl2N2O6 |
|---|---|
| Molecular Weight | 462.04 g/mol |
| LogP | 3.6017 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.03854 |
| Heavy Atoms | 31 |
| Complexity | 1061.5276 |
Chemical Identifiers
| CAS Number | 309948-40-1 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1Cl)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)Cl |
Product Overview
ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate (CAS 309948-40-1), with molecular formula C21H16Cl2N2O6 and molecular weight 462.04 g/mol. IUPAC: ethyl 2-[2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetate.
Chemical Property Profile of ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate
Property Insights of ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate
The XLogP value of 3.6017 indicates that ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate. Following Lipinski's Rule of Five, ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate has 1 hydrogen bond donor(s) and 6 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 {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate?
The CAS number of ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate is 309948-40-1.
What is the molecular formula of ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate?
The molecular formula of ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate is C21H16Cl2N2O6.
What is the molecular weight of ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate?
The molecular weight of ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate is 462.04 g/mol.
Where can I buy ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate?
You can request a quote for ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.