![1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea structure](/static/products/573/573697-76-4.png)
1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea
TL;DR: 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea (CAS 573697-76-4) is a chemical compound with molecular formula C21H26N4O6S and molecular weight 462.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea
Also Known As: 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea, 1-{2-[6-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-7-methoxy-benzo[1,3]dioxol-5-y l]-ethyl}-3-ethyl-1-methyl-thiourea, 1-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-3-ethyl-1-methylthiourea, 1-(2-{6-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-3-ethyl-1-methylthiourea, 1-[2-[6-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methyl-thiourea
| Molecular Formula | C21H26N4O6S |
|---|---|
| Molecular Weight | 462.16 g/mol |
| LogP | 1.2264 |
| Topological Polar Surface Area | 100.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.15732 |
| Heavy Atoms | 32 |
| Complexity | 982.49426 |
Chemical Identifiers
| CAS Number | 573697-76-4 |
|---|---|
| SMILES | CCNC(=S)N(C)CCC1=CC2=C(C(=C1C=C3C(=O)N(C(=O)N(C3=O)C)C)OC)OCO2 |
Product Overview
1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea (CAS 573697-76-4), with molecular formula C21H26N4O6S and molecular weight 462.16 g/mol. IUPAC: 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea.
Chemical Property Profile of 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea
Property Insights of 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea
The XLogP value of 1.2264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea. The TPSA of 100.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea. Following Lipinski's Rule of Five, 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea has 1 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 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea?
The CAS number of 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea is 573697-76-4.
What is the molecular formula of 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea?
The molecular formula of 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea is C21H26N4O6S.
What is the molecular weight of 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea?
The molecular weight of 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea is 462.16 g/mol.
Where can I buy 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea?
You can request a quote for 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-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 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-3-ethyl-1-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.