5-(Anilinomethylene)-1,3-dimethylbarbituric acid
TL;DR: 5-(Anilinomethylene)-1,3-dimethylbarbituric acid (CAS 23069-97-8) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione
Also Known As: BAS 00989784, 5-(anilinomethylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 1,3-dimethyl-5-anilinomethylenebarbituric, 1,3-dimethyl-5-[(phenylamino)methylidene]-1,3-diazinane-2,4,6-trione, J1.054.450E
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 0.5402 |
| Topological Polar Surface Area | 76.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 742.2092 |
Chemical Identifiers
| CAS Number | 23069-97-8 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=CC=C2)O |
Product Overview
5-(Anilinomethylene)-1,3-dimethylbarbituric acid (CAS 23069-97-8), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: 6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione.
Chemical Property Profile of 5-(Anilinomethylene)-1,3-dimethylbarbituric acid
Property Insights of 5-(Anilinomethylene)-1,3-dimethylbarbituric acid
The XLogP value of 0.5402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Anilinomethylene)-1,3-dimethylbarbituric acid. The TPSA of 76.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Anilinomethylene)-1,3-dimethylbarbituric acid. Following Lipinski's Rule of Five, 5-(Anilinomethylene)-1,3-dimethylbarbituric acid has 1 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)-1,3-dimethylbarbituric acid?
The CAS number of 5-(Anilinomethylene)-1,3-dimethylbarbituric acid is 23069-97-8.
What is the molecular formula of 5-(Anilinomethylene)-1,3-dimethylbarbituric acid?
The molecular formula of 5-(Anilinomethylene)-1,3-dimethylbarbituric acid is C13H13N3O3.
What is the molecular weight of 5-(Anilinomethylene)-1,3-dimethylbarbituric acid?
The molecular weight of 5-(Anilinomethylene)-1,3-dimethylbarbituric acid is 259.10 g/mol.
Where can I buy 5-(Anilinomethylene)-1,3-dimethylbarbituric acid?
You can request a quote for 5-(Anilinomethylene)-1,3-dimethylbarbituric 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)-1,3-dimethylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Anilinomethylene)-1,3-dimethylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.