5-(Anilinomethylene)barbituric acid
TL;DR: 5-(Anilinomethylene)barbituric acid (CAS 69962-52-3) is a chemical compound with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione
Also Known As: AURORA KA-4920, 5-anilinomethylenebarbituric acid, 5-(ANILINOMETHYLENE)BARBITURIC ACID, 5-(anilinomethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(anilinomethylidene)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H9N3O3 |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 0.5194 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.06439 |
| Heavy Atoms | 17 |
| Complexity | 655.65216 |
Chemical Identifiers
| CAS Number | 69962-52-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=CC2=C(NC(=O)NC2=O)O |
Product Overview
5-(Anilinomethylene)barbituric acid (CAS 69962-52-3), with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol. IUPAC: 6-hydroxy-5-(phenyliminomethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(Anilinomethylene)barbituric acid
Property Insights of 5-(Anilinomethylene)barbituric acid
The XLogP value of 0.5194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Anilinomethylene)barbituric acid. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Anilinomethylene)barbituric acid. Following Lipinski's Rule of Five, 5-(Anilinomethylene)barbituric acid has 3 hydrogen bond donor(s) and 4 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-(Anilinomethylene)barbituric acid?
The CAS number of 5-(Anilinomethylene)barbituric acid is 69962-52-3.
What is the molecular formula of 5-(Anilinomethylene)barbituric acid?
The molecular formula of 5-(Anilinomethylene)barbituric acid is C11H9N3O3.
What is the molecular weight of 5-(Anilinomethylene)barbituric acid?
The molecular weight of 5-(Anilinomethylene)barbituric acid is 231.06 g/mol.
Where can I buy 5-(Anilinomethylene)barbituric acid?
You can request a quote for 5-(Anilinomethylene)barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Anilinomethylene)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Anilinomethylene)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.