![ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate structure](/static/products/859/859137-29-4.png)
ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate
TL;DR: ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate (CAS 859137-29-4) is a chemical compound with molecular formula C21H25N3O8 and molecular weight 447.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methylcarbamate
Also Known As: ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate, ethyl (2-{6-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)methylcarbamate, ethyl N-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methylcarbamate
| Molecular Formula | C21H25N3O8 |
|---|---|
| Molecular Weight | 447.16 g/mol |
| LogP | 1.4885 |
| Topological Polar Surface Area | 114.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.16415 |
| Heavy Atoms | 32 |
| Complexity | 977.24915 |
Chemical Identifiers
| CAS Number | 859137-29-4 |
|---|---|
| SMILES | CCOC(=O)N(C)CCC1=CC2=C(C(=C1C=C3C(=O)N(C(=O)N(C3=O)C)C)OC)OCO2 |
Product Overview
ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate (CAS 859137-29-4), with molecular formula C21H25N3O8 and molecular weight 447.16 g/mol. IUPAC: ethyl N-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methylcarbamate.
Chemical Property Profile of ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate
Property Insights of ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate
The XLogP value of 1.4885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate. The TPSA of 114.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2-(6-((1,3-dimethyl-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, ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate has 0 hydrogen bond donor(s) and 8 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-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate?
The CAS number of ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate is 859137-29-4.
What is the molecular formula of ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate?
The molecular formula of ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate is C21H25N3O8.
What is the molecular weight of ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate?
The molecular weight of ethyl (2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate is 447.16 g/mol.
Where can I buy ethyl (2-(6-((1,3-dimethyl-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 ethyl (2-(6-((1,3-dimethyl-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 ethyl (2-(6-((1,3-dimethyl-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 ethyl (2-(6-((1,3-dimethyl-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.