![1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/100/1005055-90-2.png)
1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1005055-90-2) is a chemical compound with molecular formula C33H36N4O5 and molecular weight 568.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-5-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methyl]-5-[(4-propan-2-ylphenyl)methyl]-1,3-diazinane-2,4,6-trione
Also Known As: 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C33H36N4O5 |
|---|---|
| Molecular Weight | 568.27 g/mol |
| LogP | 3.9115 |
| Topological Polar Surface Area | 100.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 568.26855 |
| Heavy Atoms | 42 |
| Complexity | 1579.1693 |
Chemical Identifiers
| CAS Number | 1005055-90-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CC2(C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC)CN4CC5CC(C4)C6=CC=CC(=O)N6C5 |
Product Overview
1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1005055-90-2), with molecular formula C33H36N4O5 and molecular weight 568.27 g/mol. IUPAC: 1-(4-methoxyphenyl)-5-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methyl]-5-[(4-propan-2-ylphenyl)methyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.9115 indicates that 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione is 1005055-90-2.
What is the molecular formula of 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione is C33H36N4O5.
What is the molecular weight of 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione is 568.27 g/mol.
Where can I buy 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.