![5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/121/1212487-55-2.png)
5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1212487-55-2) is a chemical compound with molecular formula C34H35N5O4 and molecular weight 577.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-benzylindol-3-yl)methyl]-1,3-dimethyl-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-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(1-benzyl-1H-indol-3-yl)methyl]-1,3-dimethyl-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
| Molecular Formula | C34H35N5O4 |
|---|---|
| Molecular Weight | 577.27 g/mol |
| LogP | 3.5499 |
| Topological Polar Surface Area | 87.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 577.2689 |
| Heavy Atoms | 43 |
| Complexity | 1784.2875 |
Chemical Identifiers
| CAS Number | 1212487-55-2 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)(CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)CN5CC6CC(C5)C7=CC=CC(=O)N7C6 |
Product Overview
5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1212487-55-2), with molecular formula C34H35N5O4 and molecular weight 577.27 g/mol. IUPAC: 5-[(1-benzylindol-3-yl)methyl]-1,3-dimethyl-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.
Chemical Property Profile of 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.5499 indicates that 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-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 87.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 1212487-55-2.
What is the molecular formula of 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C34H35N5O4.
What is the molecular weight of 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 577.27 g/mol.
Where can I buy 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)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 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-((1-benzyl-1H-indol-3-yl)methyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.