5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione
TL;DR: 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione (CAS 121-08-4) is a chemical compound with molecular formula C8H5N5O6 and molecular weight 267.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,4,6-trioxo-1,3-diazinan-5-yl)imino]-1,3-diazinane-2,4,6-trione
Also Known As: Purpuric acid, Acid ammonium purpurate, 5,5'-azanylylidene-bis-pyrimidine-2,4,6-trione, 5-[(2,4,6-trioxo-1,3-diazinan-5-yl)imino]-1,3-diazinane-2,4,6-trione, 5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C8H5N5O6 |
|---|---|
| Molecular Weight | 267.02 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.024 |
| Heavy Atoms | 19 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 121-08-4 |
|---|---|
| SMILES | C1(C(=O)NC(=O)NC1=O)N=C2C(=O)NC(=O)NC2=O |
| InChIKey | VQTZGUYEOZNKQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione (CAS 121-08-4), with molecular formula C8H5N5O6 and molecular weight 267.02 g/mol. IUPAC: 5-[(2,4,6-trioxo-1,3-diazinan-5-yl)imino]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione
Property Insights of 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione
The XLogP value of -2.0 indicates that 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione has 4 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 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione?
The CAS number of 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione is 121-08-4.
What is the molecular formula of 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione?
The molecular formula of 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione is C8H5N5O6.
What is the molecular weight of 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione?
The molecular weight of 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione is 267.02 g/mol.
Where can I buy 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione?
You can request a quote for 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-Azanylylidene-bis-pyrimidine-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.