5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione (CAS 5160-56-5) is a chemical compound with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-methanimidoyl-1-phenylpyrimidine-2,4-dione
Also Known As: 5-(aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione, (5E)-5-(aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H9N3O3 |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.06439 |
| Heavy Atoms | 17 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 5160-56-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)C=N)O |
| InChIKey | VGLKRPDBHGANKK-UHFFFAOYSA-N |
Product Overview
5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione (CAS 5160-56-5), with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol. IUPAC: 6-hydroxy-5-methanimidoyl-1-phenylpyrimidine-2,4-dione.
Chemical Property Profile of 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione has 3 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-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione is 5160-56-5.
What is the molecular formula of 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione is C11H9N3O3.
What is the molecular weight of 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione is 231.06 g/mol.
Where can I buy 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.