1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime
TL;DR: 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime (CAS 69486-93-7) is a chemical compound with molecular formula C10H7N3O4 and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-nitroso-1-phenylpyrimidine-2,4-dione
Also Known As: 1-Phenylvioluric acid, 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime, 5-hydroxyimino-1-phenyl-1,3-diazinane-2,4,6-trione, 2,4,5,6(1H,3H)-Pyrimidinetetrone, 1-phenyl-, 5-oxime, (5E)-5-hydroxyimino-1-phenyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C10H7N3O4 |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.04366 |
| Heavy Atoms | 17 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 69486-93-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)N=O)O |
| InChIKey | VHQJWPZCQPBQAF-UHFFFAOYSA-N |
Product Overview
1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime (CAS 69486-93-7), with molecular formula C10H7N3O4 and molecular weight 233.04 g/mol. IUPAC: 6-hydroxy-5-nitroso-1-phenylpyrimidine-2,4-dione.
Chemical Property Profile of 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime
Property Insights of 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime. Following Lipinski's Rule of Five, 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime has 2 hydrogen bond donor(s) and 5 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 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime?
The CAS number of 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime is 69486-93-7.
What is the molecular formula of 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime?
The molecular formula of 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime is C10H7N3O4.
What is the molecular weight of 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime?
The molecular weight of 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime is 233.04 g/mol.
Where can I buy 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime?
You can request a quote for 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.