RefChem:1083847
TL;DR: RefChem:1083847 (CAS 66-57-9) is a chemical compound with molecular formula C15H10N4Na2O7 and molecular weight 404.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[(2-hydroxyphenyl)-(4-oxido-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-2,6-dioxo-5H-pyrimidin-4-olate
Also Known As: Sodium 5-salicylidene-bis-barbiturate, 5,5'-(o-Hydroxybenzylidene)dibarbituric acid disodium salt, Barbituric acid, 5,5'-salicylidenedi-, disodium salt, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-((2-hydroxyphenyl)methylene)bis-, disodium salt, Disodium 5-((4,6-dihydroxy-2-oxo-2,5-dihydropyrimidin-5-yl)(2-oxidophenyl)methyl)-6-hydroxy-2-oxo-2,5-dihydropyrimidin-4-olate
| Molecular Formula | C15H10N4Na2O7 |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | -8.27 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.0345 |
| Heavy Atoms | 28 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 66-57-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(C2C(=O)NC(=O)N=C2[O-])C3C(=O)NC(=O)N=C3[O-])O.[Na+].[Na+] |
| InChIKey | HKDBBQDGIAPNRU-UHFFFAOYSA-L |
Product Overview
RefChem:1083847 (CAS 66-57-9), with molecular formula C15H10N4Na2O7 and molecular weight 404.03 g/mol. IUPAC: disodium;5-[(2-hydroxyphenyl)-(4-oxido-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-2,6-dioxo-5H-pyrimidin-4-olate.
Chemical Property Profile of RefChem:1083847
Property Insights of RefChem:1083847
The XLogP value of -8.27 indicates that RefChem:1083847 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting RefChem:1083847 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1083847 has 3 hydrogen bond donor(s) and 7 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 RefChem:1083847?
The CAS number of RefChem:1083847 is 66-57-9.
What is the molecular formula of RefChem:1083847?
The molecular formula of RefChem:1083847 is C15H10N4Na2O7.
What is the molecular weight of RefChem:1083847?
The molecular weight of RefChem:1083847 is 404.03 g/mol.
Where can I buy RefChem:1083847?
You can request a quote for RefChem:1083847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083847?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.