![4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione structure](/static/products/858/858751-18-5.png)
4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione
TL;DR: 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione (CAS 858751-18-5) is a chemical compound with molecular formula C19H16N4O9 and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione
Also Known As: 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione, 4-methoxy-7-(2,4,6-trioxohexahydropyrimidin-5-yl)-7,8-dihydro-1'H,5H-spiro[naphtho[2,3-d][1,3]dioxole-6,5'-pyrimidine]-2',4',6'(3'H)-trione, 7-(2,6-dihydroxy-4-oxo-4,5-dihydropyrimidin-5-yl)-2',6'-dihydroxy-4-methoxy-7,8-dihydro-4'H,5H-spiro[naphtho[2,3-d][1,3]dioxole-6,5'-pyrimidin]-4'-one, 7-(Hexahydro-2,4,6-trioxo-5-pyrimidinyl)-7,8-dihydro-4-methoxyspiro[naphtho[2,3-d]-1,3-dioxole-6(5H),5'(2'H)-pyrimidine]-2',4',6'(1'H,3'H)-trione
| Molecular Formula | C19H16N4O9 |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | -1.5267 |
| Topological Polar Surface Area | 178.23 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.09174 |
| Heavy Atoms | 32 |
| Complexity | 1104.0978 |
Chemical Identifiers
| CAS Number | 858751-18-5 |
|---|---|
| SMILES | COC1=C2CC3(C(CC2=CC4=C1OCO4)C5C(=O)NC(=O)NC5=O)C(=O)NC(=O)NC3=O |
Product Overview
4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione (CAS 858751-18-5), with molecular formula C19H16N4O9 and molecular weight 444.09 g/mol. IUPAC: 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione.
Chemical Property Profile of 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione
Property Insights of 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione
The XLogP value of -1.5267 indicates that 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.23 Ų indicates high polarity, suggesting 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione has 4 hydrogen bond donor(s) and 9 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 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione?
The CAS number of 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione is 858751-18-5.
What is the molecular formula of 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione?
The molecular formula of 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione is C19H16N4O9.
What is the molecular weight of 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione?
The molecular weight of 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione is 444.09 g/mol.
Where can I buy 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione?
You can request a quote for 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 4'-methoxy-7'-(2,4,6-trioxo-1,3-diazinan-5-yl)spiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.