5-(4-Methoxybenzylidene)barbituric acid
TL;DR: 5-(4-Methoxybenzylidene)barbituric acid (CAS 49546-71-6) is a chemical compound with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 5-Anisylidinebarbituric acid, 5-(p-Methoxybenzylidene)barbituric acid, ChemDiv3_000115, BARBITURIC ACID, 5-(p-METHOXYBENZYLIDENE)-, 5-[ methylene]barbituricacid
| Molecular Formula | C12H10N2O4 |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.06406 |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 49546-71-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O |
| InChIKey | IWKTUKNFSHWMNP-UHFFFAOYSA-N |
Product Overview
5-(4-Methoxybenzylidene)barbituric acid (CAS 49546-71-6), with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol. IUPAC: 5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(4-Methoxybenzylidene)barbituric acid
Property Insights of 5-(4-Methoxybenzylidene)barbituric acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methoxybenzylidene)barbituric acid. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Methoxybenzylidene)barbituric acid. Following Lipinski's Rule of Five, 5-(4-Methoxybenzylidene)barbituric acid has 2 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-(4-Methoxybenzylidene)barbituric acid?
The CAS number of 5-(4-Methoxybenzylidene)barbituric acid is 49546-71-6.
What is the molecular formula of 5-(4-Methoxybenzylidene)barbituric acid?
The molecular formula of 5-(4-Methoxybenzylidene)barbituric acid is C12H10N2O4.
What is the molecular weight of 5-(4-Methoxybenzylidene)barbituric acid?
The molecular weight of 5-(4-Methoxybenzylidene)barbituric acid is 246.06 g/mol.
Where can I buy 5-(4-Methoxybenzylidene)barbituric acid?
You can request a quote for 5-(4-Methoxybenzylidene)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-(4-Methoxybenzylidene)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methoxybenzylidene)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.