5-Methylbarbituric acid
TL;DR: 5-Methylbarbituric acid (CAS 27921-50-2) is a chemical compound with molecular formula C5H6N2O3 and molecular weight 142.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Methylbarbituric acid, 6-Hydroxythymine, 5-Methylbarbiturate, 5-methylpyrimidine-2,4,6(1H,3H,5H)-trione, Barbituric acid, 5-methyl-
| Molecular Formula | C5H6N2O3 |
|---|---|
| Molecular Weight | 142.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.03784 |
| Heavy Atoms | 10 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 27921-50-2 |
|---|---|
| SMILES | CC1C(=O)NC(=O)NC1=O |
| InChIKey | GOMAEJQBTWAPAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylbarbituric acid (CAS 27921-50-2), with molecular formula C5H6N2O3 and molecular weight 142.04 g/mol. IUPAC: 5-methyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Methylbarbituric acid
Property Insights of 5-Methylbarbituric acid
The XLogP value of -0.7 indicates that 5-Methylbarbituric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methylbarbituric acid. Following Lipinski's Rule of Five, 5-Methylbarbituric acid has 2 hydrogen bond donor(s) and 3 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-Methylbarbituric acid?
The CAS number of 5-Methylbarbituric acid is 27921-50-2.
What is the molecular formula of 5-Methylbarbituric acid?
The molecular formula of 5-Methylbarbituric acid is C5H6N2O3.
What is the molecular weight of 5-Methylbarbituric acid?
The molecular weight of 5-Methylbarbituric acid is 142.04 g/mol.
Where can I buy 5-Methylbarbituric acid?
You can request a quote for 5-Methylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.