![3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea structure](/static/products/575/575462-08-7.png)
3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea
TL;DR: 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea (CAS 575462-08-7) is a chemical compound with molecular formula C26H28N4O6S and molecular weight 524.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methylthiourea
Also Known As: 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea, 3-benzyl-1-(2-{6-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1-methylthiourea, 3-benzyl-1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methylthiourea
| Molecular Formula | C26H28N4O6S |
|---|---|
| Molecular Weight | 524.17 g/mol |
| LogP | 2.4067 |
| Topological Polar Surface Area | 100.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 524.173 |
| Heavy Atoms | 37 |
| Complexity | 1253.5731 |
Chemical Identifiers
| CAS Number | 575462-08-7 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=C(C3=C(C=C2CCN(C)C(=S)NCC4=CC=CC=C4)OCO3)OC)C(=O)N(C1=O)C |
Product Overview
3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea (CAS 575462-08-7), with molecular formula C26H28N4O6S and molecular weight 524.17 g/mol. IUPAC: 3-benzyl-1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methylthiourea.
Chemical Property Profile of 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea
Property Insights of 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea
The XLogP value of 2.4067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea. The TPSA of 100.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea. Following Lipinski's Rule of Five, 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea has 1 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 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea?
The CAS number of 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea is 575462-08-7.
What is the molecular formula of 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea?
The molecular formula of 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea is C26H28N4O6S.
What is the molecular weight of 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea?
The molecular weight of 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea is 524.17 g/mol.
Where can I buy 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea?
You can request a quote for 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.