5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide
TL;DR: 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide (CAS 5231-93-6) is a chemical compound with molecular formula C10H6BrN5O4 and molecular weight 338.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]pyridine-3-carboxamide
Also Known As: BIM-0014732.P001, 5-BROMO-N'-(2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE)PYRIDINE-3-CARBOHYDRAZIDE, 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide, 5-bromo-N-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]pyridine-3-carboxamide, 5-bromo-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]pyridine-3-carboxamide
| Molecular Formula | C10H6BrN5O4 |
|---|---|
| Molecular Weight | 338.96 g/mol |
| LogP | 0.8504 |
| Topological Polar Surface Area | 140.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.96033 |
| Heavy Atoms | 20 |
| Complexity | 809.78064 |
Chemical Identifiers
| CAS Number | 5231-93-6 |
|---|---|
| SMILES | C1=C(C=NC=C1Br)C(=O)N=NC2=C(NC(=O)NC2=O)O |
Product Overview
5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide (CAS 5231-93-6), with molecular formula C10H6BrN5O4 and molecular weight 338.96 g/mol. IUPAC: 5-bromo-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]pyridine-3-carboxamide.
Chemical Property Profile of 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide
Property Insights of 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide
The XLogP value of 0.8504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide. The TPSA of 140.63 Ų indicates high polarity, suggesting 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide 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 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide?
The CAS number of 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide is 5231-93-6.
What is the molecular formula of 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide?
The molecular formula of 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide is C10H6BrN5O4.
What is the molecular weight of 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide?
The molecular weight of 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide is 338.96 g/mol.
Where can I buy 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide?
You can request a quote for 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N'-(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)nicotinohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.