![1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea structure](/static/products/858/858768-89-5.png)
1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea
TL;DR: 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea (CAS 858768-89-5) 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-butan-2-yl-3-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]thiourea
Also Known As: 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea, 1-butan-2-yl-3-(2-{6-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)thiourea, 1-butan-2-yl-3-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]thiourea
| Molecular Formula | C22H28N4O6S |
|---|---|
| Molecular Weight | 476.17 g/mol |
| LogP | 1.6628 |
| Topological Polar Surface Area | 109.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.17294 |
| Heavy Atoms | 33 |
| Complexity | 998.62866 |
Chemical Identifiers
| CAS Number | 858768-89-5 |
|---|---|
| SMILES | CCC(C)NC(=S)NCCC1=CC2=C(C(=C1C=C3C(=O)N(C(=O)N(C3=O)C)C)OC)OCO2 |
Product Overview
1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea (CAS 858768-89-5), with molecular formula C22H28N4O6S and molecular weight 476.17 g/mol. IUPAC: 1-butan-2-yl-3-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]thiourea.
Chemical Property Profile of 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea
Property Insights of 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea
The XLogP value of 1.6628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea. The TPSA of 109.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea. Following Lipinski's Rule of Five, 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea 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 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea?
The CAS number of 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea is 858768-89-5.
What is the molecular formula of 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea?
The molecular formula of 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea is C22H28N4O6S.
What is the molecular weight of 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea?
The molecular weight of 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea is 476.17 g/mol.
Where can I buy 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea?
You can request a quote for 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(sec-butyl)-3-(2-(6-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.