![9'-bromo-7'-(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 structure](/static/products/376/376383-66-3.png)
9'-bromo-7'-(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: 9'-bromo-7'-(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 376383-66-3) is a chemical compound with molecular formula C23H23BrN4O9 and molecular weight 578.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9'-bromo-7'-(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: 9'-bromo-7'-(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, 9-bromo-7-(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, 9-bromo-7-(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 | C23H23BrN4O9 |
|---|---|
| Molecular Weight | 578.06 g/mol |
| LogP | 0.6046 |
| Topological Polar Surface Area | 143.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 578.0648 |
| Heavy Atoms | 37 |
| Complexity | 1279.768 |
Chemical Identifiers
| CAS Number | 376383-66-3 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)C2CC3=C(CC24C(=O)N(C(=O)N(C4=O)C)C)C(=C5C(=C3Br)OCO5)OC |
Product Overview
9'-bromo-7'-(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 376383-66-3), with molecular formula C23H23BrN4O9 and molecular weight 578.06 g/mol. IUPAC: 9'-bromo-7'-(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 9'-bromo-7'-(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 9'-bromo-7'-(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 0.6046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9'-bromo-7'-(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 143.07 Ų indicates high polarity, suggesting 9'-bromo-7'-(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, 9'-bromo-7'-(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 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9'-bromo-7'-(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 9'-bromo-7'-(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 376383-66-3.
What is the molecular formula of 9'-bromo-7'-(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 9'-bromo-7'-(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 C23H23BrN4O9.
What is the molecular weight of 9'-bromo-7'-(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 9'-bromo-7'-(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 578.06 g/mol.
Where can I buy 9'-bromo-7'-(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 9'-bromo-7'-(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 9'-bromo-7'-(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 9'-bromo-7'-(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.