![3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile structure](/static/products/355/355411-82-4.png)
3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile
TL;DR: 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile (CAS 355411-82-4) is a chemical compound with molecular formula C11H7N5O3 and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzonitrile
Also Known As: 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile, 3-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzonitrile, 3-{[(2,4,6-trioxo-1,3-dihydropyrimidin-5-ylidene)azamethyl]amino}benzenecarbon itrile
| Molecular Formula | C11H7N5O3 |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 1.05588 |
| Topological Polar Surface Area | 134.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0549 |
| Heavy Atoms | 19 |
| Complexity | 796.95355 |
Chemical Identifiers
| CAS Number | 355411-82-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=NC2=C(NC(=O)NC2=O)O)C#N |
Product Overview
3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile (CAS 355411-82-4), with molecular formula C11H7N5O3 and molecular weight 257.05 g/mol. IUPAC: 3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzonitrile.
Chemical Property Profile of 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile
Property Insights of 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile
The XLogP value of 1.05588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile. The TPSA of 134.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile. Following Lipinski's Rule of Five, 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile has 3 hydrogen bond donor(s) and 6 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 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile?
The CAS number of 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile is 355411-82-4.
What is the molecular formula of 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile?
The molecular formula of 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile is C11H7N5O3.
What is the molecular weight of 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile?
The molecular weight of 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile is 257.05 g/mol.
Where can I buy 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile?
You can request a quote for 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.