5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one
TL;DR: 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one (CAS 70384-36-0) is a chemical compound with molecular formula C17H23N4O6+ and molecular weight 379.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1,3-diazinane-2,4,6-trione;1-pyridin-1-ium-1-yloctan-2-one
Also Known As: 1-pyridin-1-ium-1-yloctan-2-one, 5-nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one, 5-nitro-1,3-diazinane-2,4,6-trione,1-pyridin-1-ium-1-yloctan-2-one, 5-nitro-1,3-diazinane-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one
| Molecular Formula | C17H23N4O6+ |
|---|---|
| Molecular Weight | 379.16 g/mol |
| LogP | 0.5113 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.16177 |
| Heavy Atoms | 27 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 70384-36-0 |
|---|---|
| SMILES | CCCCCCC(=O)C[N+]1=CC=CC=C1.C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-] |
| InChIKey | UBFYLQQIJAHWBX-UHFFFAOYSA-N |
Product Overview
5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one (CAS 70384-36-0), with molecular formula C17H23N4O6+ and molecular weight 379.16 g/mol. IUPAC: 5-nitro-1,3-diazinane-2,4,6-trione;1-pyridin-1-ium-1-yloctan-2-one.
Chemical Property Profile of 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one
Property Insights of 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one
The XLogP value of 0.5113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one. The TPSA of 142.0 Ų indicates high polarity, suggesting 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one?
The CAS number of 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one is 70384-36-0.
What is the molecular formula of 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one?
The molecular formula of 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one is C17H23N4O6+.
What is the molecular weight of 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one?
The molecular weight of 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one is 379.16 g/mol.
Where can I buy 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one?
You can request a quote for 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrohexahydropyrimidine-2,4,6-trione; 1-pyridin-1-ium-1-yloctan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.