5-Benzylidenebarbituric acid
TL;DR: 5-Benzylidenebarbituric acid (CAS 33037-89-7) is a chemical compound with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylidene-1,3-diazinane-2,4,6-trione
Also Known As: Benzalbarbituric acid, 5-Benzylidenebarbituric acid, 5-benzylidenepyrimidine-2,4,6(1H,3H,5H)-trione, benzylidene barbituric, 5-benzylidenebarbituric
| Molecular Formula | C11H8N2O3 |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.0535 |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 33037-89-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O |
| InChIKey | CMWDWOZYVQQAMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzylidenebarbituric acid (CAS 33037-89-7), with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol. IUPAC: 5-benzylidene-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Benzylidenebarbituric acid
Property Insights of 5-Benzylidenebarbituric acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylidenebarbituric acid. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzylidenebarbituric acid. Following Lipinski's Rule of Five, 5-Benzylidenebarbituric 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-Benzylidenebarbituric acid?
The CAS number of 5-Benzylidenebarbituric acid is 33037-89-7.
What is the molecular formula of 5-Benzylidenebarbituric acid?
The molecular formula of 5-Benzylidenebarbituric acid is C11H8N2O3.
What is the molecular weight of 5-Benzylidenebarbituric acid?
The molecular weight of 5-Benzylidenebarbituric acid is 216.05 g/mol.
Where can I buy 5-Benzylidenebarbituric acid?
You can request a quote for 5-Benzylidenebarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylidenebarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylidenebarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.