Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt
TL;DR: Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt (CAS 78472-82-9) is a chemical compound with molecular formula C15H10K2N2O7 and molecular weight 407.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;2-[5-benzylidene-3-(carboxylatomethyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
Also Known As: Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt, Hexahydro-5-benzylidene-2,4,6-trioxo-1,3-pyrimidinediacetic acid dipotassium salt, 1,3-Pyrimidinediacetic acid, hexahydro-5-benzylidene-2,4,6-trioxo-, dipotassium salt, Dipotassium 2,2'-(5-benzylidene-2,4,6-trioxo-1,3-diazinane-1,3-diyl)diacetate, dipotassium 2-[5-benzylidene-3-(2-oxido-2-oxoethyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
| Molecular Formula | C15H10K2N2O7 |
|---|---|
| Molecular Weight | 407.98 g/mol |
| LogP | -8.6314 |
| Topological Polar Surface Area | 137.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.97623 |
| Heavy Atoms | 26 |
| Complexity | 724.51825 |
Chemical Identifiers
| CAS Number | 78472-82-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)CC(=O)[O-])CC(=O)[O-].[K+].[K+] |
Product Overview
Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt (CAS 78472-82-9), with molecular formula C15H10K2N2O7 and molecular weight 407.98 g/mol. IUPAC: dipotassium;2-[5-benzylidene-3-(carboxylatomethyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate.
Chemical Property Profile of Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt
Property Insights of Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt
The XLogP value of -8.6314 indicates that Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt. Following Lipinski's Rule of Five, Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt has 0 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 Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt?
The CAS number of Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt is 78472-82-9.
What is the molecular formula of Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt?
The molecular formula of Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt is C15H10K2N2O7.
What is the molecular weight of Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt?
The molecular weight of Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt is 407.98 g/mol.
Where can I buy Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt?
You can request a quote for Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, 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(carboxymethyl)-5-benzylidene-, dipotassium salt?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.