5-Vanillylidene barbituric acid
TL;DR: 5-Vanillylidene barbituric acid (CAS 40367-32-6) is a chemical compound with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 5-Vanillylidene barbituric acid, BAS 00449137, 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione, 4-hydroxy-3-methoxybenzylidenebarbituric acid, J2.216.102D
| Molecular Formula | C12H10N2O5 |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | 0.1502 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.05896 |
| Heavy Atoms | 19 |
| Complexity | 584.1373 |
Chemical Identifiers
| CAS Number | 40367-32-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)O |
Product Overview
5-Vanillylidene barbituric acid (CAS 40367-32-6), with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol. IUPAC: 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Vanillylidene barbituric acid
Property Insights of 5-Vanillylidene barbituric acid
The XLogP value of 0.1502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Vanillylidene barbituric acid. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Vanillylidene barbituric acid. Following Lipinski's Rule of Five, 5-Vanillylidene barbituric acid has 3 hydrogen bond donor(s) and 5 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-Vanillylidene barbituric acid?
The CAS number of 5-Vanillylidene barbituric acid is 40367-32-6.
What is the molecular formula of 5-Vanillylidene barbituric acid?
The molecular formula of 5-Vanillylidene barbituric acid is C12H10N2O5.
What is the molecular weight of 5-Vanillylidene barbituric acid?
The molecular weight of 5-Vanillylidene barbituric acid is 262.06 g/mol.
Where can I buy 5-Vanillylidene barbituric acid?
You can request a quote for 5-Vanillylidene 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-Vanillylidene barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Vanillylidene barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.