5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione
TL;DR: 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione (CAS 895909-09-8) is a chemical compound with molecular formula C26H31N5O9 and molecular weight 557.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5'-[5-[(dimethylamino)methyl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione
Also Known As: 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione, 5-(5-((dimethylamino)methyl)-1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-4-methoxy-1',3'-dimethyl-7,8-dihydro-1'H,5H-spiro[naphtho[2,3-d][1,3]dioxole-6,5'-pyrimidine]-2',4',6'(3'H)-trione, 5-{5-[(dimethylamino)methyl]-1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl}-4-methoxy-1',3'-dimethyl-7,8-dihydro-2'H,5H-spiro[naphtho[2,3-d][1,3]dioxole-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
| Molecular Formula | C26H31N5O9 |
|---|---|
| Molecular Weight | 557.21 g/mol |
| LogP | 0.0889 |
| Topological Polar Surface Area | 146.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 557.21216 |
| Heavy Atoms | 40 |
| Complexity | 1340.763 |
Chemical Identifiers
| CAS Number | 895909-09-8 |
|---|---|
| SMILES | CN1C(=O)C2(CCC3=CC4=C(C(=C3C2C5(C(=O)N(C(=O)N(C5=O)C)C)CN(C)C)OC)OCO4)C(=O)N(C1=O)C |
Product Overview
5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione (CAS 895909-09-8), with molecular formula C26H31N5O9 and molecular weight 557.21 g/mol. IUPAC: 5'-[5-[(dimethylamino)methyl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione.
Chemical Property Profile of 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione
Property Insights of 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione
The XLogP value of 0.0889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione. The TPSA of 146.31 Ų indicates high polarity, suggesting 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[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, 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione?
The CAS number of 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione is 895909-09-8.
What is the molecular formula of 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione?
The molecular formula of 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione is C26H31N5O9.
What is the molecular weight of 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione?
The molecular weight of 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione is 557.21 g/mol.
Where can I buy 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[1,3-diazinane-5,6'-7,8-dihydro-5H-benzo[f][1,3]benzodioxole]-2,4,6-trione?
You can request a quote for 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[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 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[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 5'-[5-(dimethylaminomethyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]-4'-methoxy-1,3-dimethylspiro[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.