ione
TL;DR: ione (CAS 892609-59-5) is a chemical compound with molecular formula C26H30N6O6 and molecular weight 522.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7'-[(1-butan-2-yl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
Also Known As: ione, (E)-7'-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione, 7'-({(E)-[1-(butan-2-yl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-tr, 7'-[(1-butan-2-yl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
| Molecular Formula | C26H30N6O6 |
|---|---|
| Molecular Weight | 522.22 g/mol |
| LogP | 1.5255 |
| Topological Polar Surface Area | 148.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 522.22266 |
| Heavy Atoms | 38 |
| Complexity | 1482.5219 |
Chemical Identifiers
| CAS Number | 892609-59-5 |
|---|---|
| SMILES | CCC(C)N1C(=C(C(=O)NC1=O)C=NC2=CC3=C(C=C2)N4CCCC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C)O |
Product Overview
ione (CAS 892609-59-5), with molecular formula C26H30N6O6 and molecular weight 522.22 g/mol. IUPAC: 7'-[(1-butan-2-yl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of ione
Property Insights of ione
The XLogP value of 1.5255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ione. The TPSA of 148.38 Ų indicates high polarity, suggesting ione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ione has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ione?
The CAS number of ione is 892609-59-5.
What is the molecular formula of ione?
The molecular formula of ione is C26H30N6O6.
What is the molecular weight of ione?
The molecular weight of ione is 522.22 g/mol.
Where can I buy ione?
You can request a quote for ione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ione?
Yes, KEHONG BIO provides custom synthesis services for ione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.