![1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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/895/895905-26-7.png)
1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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: 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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 895905-26-7) is a chemical compound with molecular formula C28H31N5O4 and molecular weight 501.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[(1-methylindol-3-yl)methyl]-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: 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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, 1,3-dimethyl-5-[(1-methyl-1H-indol-3-yl)methyl]-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 | C28H31N5O4 |
|---|---|
| Molecular Weight | 501.24 g/mol |
| LogP | 2.0386 |
| Topological Polar Surface Area | 87.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.2376 |
| Heavy Atoms | 37 |
| Complexity | 1479.7106 |
Chemical Identifiers
| CAS Number | 895905-26-7 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)CC3(C(=O)N(C(=O)N(C3=O)C)C)CN4CC5CC(C4)C6=CC=CC(=O)N6C5 |
Product Overview
1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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 895905-26-7), with molecular formula C28H31N5O4 and molecular weight 501.24 g/mol. IUPAC: 1,3-dimethyl-5-[(1-methylindol-3-yl)methyl]-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 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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 2.0386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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 TPSA of 87.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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, 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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 895905-26-7.
What is the molecular formula of 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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 C28H31N5O4.
What is the molecular weight of 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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 501.24 g/mol.
Where can I buy 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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?
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Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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 1,3-dimethyl-5-((1-methyl-1H-indol-3-yl)methyl)-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.