Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt
TL;DR: Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt (CAS 78472-85-2) is a chemical compound with molecular formula C17H14K2N2O8 and molecular weight 452.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;3-[3-(2-carboxylatoethyl)-5-[(4-hydroxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]propanoate
Also Known As: Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt, 1,3-Pyrimidinedipropionic acid, hexahydro-5-(p-hydroxybenzylidene)-2,4,6-trioxo-, dipotassium salt, Dipotassium 3,3'-{5-[(4-hydroxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinane-1,3-diyl}dipropanoate, dipotassium 3-[5-[(4-hydroxyphenyl)methylidene]-3-(3-oxido-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanoate, RefChem:219743
| Molecular Formula | C17H14K2N2O8 |
|---|---|
| Molecular Weight | 452.00 g/mol |
| LogP | -8.1456 |
| Topological Polar Surface Area | 158.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.00244 |
| Heavy Atoms | 29 |
| Complexity | 796.3396 |
Chemical Identifiers
| CAS Number | 78472-85-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C2C(=O)N(C(=O)N(C2=O)CCC(=O)[O-])CCC(=O)[O-])O.[K+].[K+] |
Product Overview
Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt (CAS 78472-85-2), with molecular formula C17H14K2N2O8 and molecular weight 452.00 g/mol. IUPAC: dipotassium;3-[3-(2-carboxylatoethyl)-5-[(4-hydroxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]propanoate.
Chemical Property Profile of Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt
Property Insights of Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt
The XLogP value of -8.1456 indicates that Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.18 Ų indicates high polarity, suggesting Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt has 1 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 Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt?
The CAS number of Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt is 78472-85-2.
What is the molecular formula of Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt?
The molecular formula of Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt is C17H14K2N2O8.
What is the molecular weight of Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt?
The molecular weight of Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt is 452.00 g/mol.
Where can I buy Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt?
You can request a quote for Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.