![(E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea structure](/static/products/674/674295-05-7.png)
(E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea
TL;DR: (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea (CAS 674295-05-7) is a chemical compound with molecular formula C24H23FN4O6S and molecular weight 514.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[6-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1,3-dimethylthiourea
Also Known As: (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea, 1-[2-(6-{(E)-[1-(4-fluorophenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1,3-dimethylthiourea, 1-[2-[6-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1,3-dimethylthiourea
| Molecular Formula | C24H23FN4O6S |
|---|---|
| Molecular Weight | 514.13 g/mol |
| LogP | 2.208 |
| Topological Polar Surface Area | 109.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.13226 |
| Heavy Atoms | 36 |
| Complexity | 1280.3582 |
Chemical Identifiers
| CAS Number | 674295-05-7 |
|---|---|
| SMILES | CNC(=S)N(C)CCC1=CC2=C(C(=C1/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F)OC)OCO2 |
Product Overview
(E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea (CAS 674295-05-7), with molecular formula C24H23FN4O6S and molecular weight 514.13 g/mol. IUPAC: 1-[2-[6-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1,3-dimethylthiourea.
Chemical Property Profile of (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea
Property Insights of (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea
The XLogP value of 2.208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea. The TPSA of 109.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea. Following Lipinski's Rule of Five, (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea?
The CAS number of (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea is 674295-05-7.
What is the molecular formula of (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea?
The molecular formula of (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea is C24H23FN4O6S.
What is the molecular weight of (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea?
The molecular weight of (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea is 514.13 g/mol.
Where can I buy (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea?
You can request a quote for (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(2-(6-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.