![5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/121/1214625-54-3.webp)
5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1214625-54-3) is a chemical compound with molecular formula C31H31ClN4O4 and molecular weight 558.20337 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)-5-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methyl]-1,3-diazinane-2,4,6-trione
Also Known As: 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Technical Specifications
| Molecular Formula | C31H31ClN4O4 |
| Molecular Weight | 558.20337 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 90.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 558.20337 Da |
| Heavy Atoms | 40 |
| Complexity | 1110.0 |
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=O)(CC3=CC=C(C=C3)Cl)CN4CC5CC(C4)C6=CC=CC(=O)N6C5 |
| InChIKey | WKUKGVKEJAITGE-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 4.2 indicates that 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione is 1214625-54-3.
What is the molecular formula of 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione is C31H31ClN4O4.
What is the molecular weight of 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione is 558.20337 g/mol.
Where can I buy 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione?
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Does CoreyChem offer custom synthesis for 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, CoreyChem provides custom synthesis services for 5-(4-chlorobenzyl)-1-(4-ethylphenyl)-5-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.