5-(m-Methoxy)benzylbarbituric Acid
TL;DR: 5-(m-Methoxy)benzylbarbituric Acid (CAS 152099-79-1) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
Also Known As: 5-(m-Methoxy)benzylbarbituric Acid, 5-(3-Methoxybenzyl)barbituric acid, NCI60_030688, 5-[(3-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione, 5-(3-methoxybenzyl)pyrimidine-2,4,6(1h,3h,5h)-trione
Technical Specifications
| Molecular Formula | C12H12N2O4 |
| Molecular Weight | 248.07971 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07971 Da |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
| SMILES | COC1=CC=CC(=C1)CC2C(=O)NC(=O)NC2=O |
| InChIKey | CFUKTJJTJRNUJB-UHFFFAOYSA-N |
Chemical Property Profile of 5-(m-Methoxy)benzylbarbituric Acid
Property Insights of 5-(m-Methoxy)benzylbarbituric Acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(m-Methoxy)benzylbarbituric Acid. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(m-Methoxy)benzylbarbituric Acid. Following Lipinski's Rule of Five, 5-(m-Methoxy)benzylbarbituric 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
What is the CAS number of 5-(m-Methoxy)benzylbarbituric Acid?
The CAS number of 5-(m-Methoxy)benzylbarbituric Acid is 152099-79-1.
What is the molecular formula of 5-(m-Methoxy)benzylbarbituric Acid?
The molecular formula of 5-(m-Methoxy)benzylbarbituric Acid is C12H12N2O4.
What is the molecular weight of 5-(m-Methoxy)benzylbarbituric Acid?
The molecular weight of 5-(m-Methoxy)benzylbarbituric Acid is 248.07971 g/mol.
Where can I buy 5-(m-Methoxy)benzylbarbituric Acid?
You can request a quote for 5-(m-Methoxy)benzylbarbituric Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(m-Methoxy)benzylbarbituric Acid?
Yes, CoreyChem provides custom synthesis services for 5-(m-Methoxy)benzylbarbituric Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.