![1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea structure](/static/products/577/577696-46-9.png)
1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea
TL;DR: 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea (CAS 577696-46-9) is a chemical compound with molecular formula C18H20N4O6S and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[7-methoxy-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-benzodioxol-5-yl]ethyl]-1,3-dimethylthiourea
Also Known As: 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea, 1-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea, 1-[2-[7-methoxy-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-benzodioxol-5-yl]ethyl]-1,3-dimethylthiourea, 1-{2-[7-Methoxy-6-(2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzo[1,3]dioxol-5-yl]-ethyl}-1,3-d imethyl-thiourea
| Molecular Formula | C18H20N4O6S |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 0.1519 |
| Topological Polar Surface Area | 118.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.11035 |
| Heavy Atoms | 29 |
| Complexity | 907.4167 |
Chemical Identifiers
| CAS Number | 577696-46-9 |
|---|---|
| SMILES | CNC(=S)N(C)CCC1=CC2=C(C(=C1C=C3C(=O)NC(=O)NC3=O)OC)OCO2 |
Product Overview
1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea (CAS 577696-46-9), with molecular formula C18H20N4O6S and molecular weight 420.11 g/mol. IUPAC: 1-[2-[7-methoxy-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-benzodioxol-5-yl]ethyl]-1,3-dimethylthiourea.
Chemical Property Profile of 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea
Property Insights of 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea
The XLogP value of 0.1519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea. The TPSA of 118.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea. Following Lipinski's Rule of Five, 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea has 3 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-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea?
The CAS number of 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea is 577696-46-9.
What is the molecular formula of 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea?
The molecular formula of 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea is C18H20N4O6S.
What is the molecular weight of 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea?
The molecular weight of 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea is 420.11 g/mol.
Where can I buy 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea?
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Does KEHONG BIO offer custom synthesis for 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.