![(E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate structure](/static/products/577/577996-63-5.png)
(E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate
TL;DR: (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate (CAS 577996-63-5) is a chemical compound with molecular formula C27H29N3O8 and molecular weight 523.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[6-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methylcarbamate
Also Known As: (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate, ethyl [2-(6-{(E)-[1-(3,4-dimethylphenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-7-methoxy-1,3-benzodioxol-5-yl)ethyl]methylcarbamate, ethyl N-[2-[6-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methylcarbamate
| Molecular Formula | C27H29N3O8 |
|---|---|
| Molecular Weight | 523.20 g/mol |
| LogP | 3.33794 |
| Topological Polar Surface Area | 123.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.19543 |
| Heavy Atoms | 38 |
| Complexity | 1350.3184 |
Chemical Identifiers
| CAS Number | 577996-63-5 |
|---|---|
| SMILES | CCOC(=O)N(C)CCC1=CC2=C(C(=C1/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC(=C(C=C4)C)C)OC)OCO2 |
Product Overview
(E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate (CAS 577996-63-5), with molecular formula C27H29N3O8 and molecular weight 523.20 g/mol. IUPAC: ethyl N-[2-[6-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methylcarbamate.
Chemical Property Profile of (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate
Property Insights of (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate
The XLogP value of 3.33794 indicates that (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate. Following Lipinski's Rule of Five, (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate?
The CAS number of (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate is 577996-63-5.
What is the molecular formula of (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate?
The molecular formula of (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate is C27H29N3O8.
What is the molecular weight of (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate?
The molecular weight of (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate is 523.20 g/mol.
Where can I buy (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate?
You can request a quote for (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl (2-(6-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.