Amalic acid
TL;DR: Amalic acid (CAS 28506-40-3) is a chemical compound with molecular formula C12H14N4O8 and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Amalic acid
5-hydroxy-5-(5-hydroxy-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: amalic acid, Tetramethylalloxantin, 5, 5,5'-dihydroxy-1,1',3,3'-tetramethyl-, 5,5'-Bibarbituric acid, 5,5'-dihydroxy-1,1',3,3'-tetramethyl-, 5-hydroxy-5-(5-hydroxy-1,3-dimethyl-2,4,6-trioxo-1,3-diazina
| Molecular Formula | C12H14N4O8 |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.08118 |
| Heavy Atoms | 24 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 28506-40-3 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)(C2(C(=O)N(C(=O)N(C2=O)C)C)O)O |
| InChIKey | RPUHUBBSMULFQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amalic acid (CAS 28506-40-3), with molecular formula C12H14N4O8 and molecular weight 342.08 g/mol. IUPAC: 5-hydroxy-5-(5-hydroxy-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Amalic acid
Property Insights of Amalic acid
The XLogP value of -3.3 indicates that Amalic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting Amalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amalic acid has 2 hydrogen bond donor(s) and 8 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 Amalic acid?
The CAS number of Amalic acid is 28506-40-3.
What is the molecular formula of Amalic acid?
The molecular formula of Amalic acid is C12H14N4O8.
What is the molecular weight of Amalic acid?
The molecular weight of Amalic acid is 342.08 g/mol.
Where can I buy Amalic acid?
You can request a quote for Amalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amalic acid?
Yes, KEHONG BIO provides custom synthesis services for Amalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.