![(E)-1-(2-(6-((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea structure](/static/products/672/672920-33-1.png)
(E)-1-(2-(6-((1-butyl-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-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea (CAS 672920-33-1) is a chemical compound with molecular formula C22H28N4O6S and molecular weight 476.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[6-[(E)-(1-butyl-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-butyl-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-butyl-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-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1,3-dimethylthiourea
| Molecular Formula | C22H28N4O6S |
|---|---|
| Molecular Weight | 476.17 g/mol |
| LogP | 1.6644 |
| Topological Polar Surface Area | 109.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.17294 |
| Heavy Atoms | 33 |
| Complexity | 1009.09045 |
Chemical Identifiers
| CAS Number | 672920-33-1 |
|---|---|
| SMILES | CCCCN1C(=O)/C(=C/C2=C(C3=C(C=C2CCN(C)C(=S)NC)OCO3)OC)/C(=O)NC1=O |
Product Overview
(E)-1-(2-(6-((1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea (CAS 672920-33-1), with molecular formula C22H28N4O6S and molecular weight 476.17 g/mol. IUPAC: 1-[2-[6-[(E)-(1-butyl-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-butyl-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-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea
The XLogP value of 1.6644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(2-(6-((1-butyl-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-butyl-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-butyl-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(2-(6-((1-butyl-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-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea is 672920-33-1.
What is the molecular formula of (E)-1-(2-(6-((1-butyl-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-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea is C22H28N4O6S.
What is the molecular weight of (E)-1-(2-(6-((1-butyl-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-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea is 476.17 g/mol.
Where can I buy (E)-1-(2-(6-((1-butyl-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-butyl-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-butyl-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-butyl-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.