![2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid structure](/static/products/315/315685-33-7.png)
2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid
TL;DR: 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid (CAS 315685-33-7) is a chemical compound with molecular formula C11H8N4O4S and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzoic acid
Also Known As: AB00088983-01, AF-399/15335020, 2-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid, 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid, 2-[(2E)-2-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)hydrazinyl]benzoic acid
| Molecular Formula | C11H8N4O4S |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 2.25169 |
| Topological Polar Surface Area | 130.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0266 |
| Heavy Atoms | 20 |
| Complexity | 808.5558 |
Chemical Identifiers
| CAS Number | 315685-33-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)N=NC2=C(NC(=S)NC2=O)O |
Product Overview
2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid (CAS 315685-33-7), with molecular formula C11H8N4O4S and molecular weight 292.03 g/mol. IUPAC: 2-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzoic acid.
Chemical Property Profile of 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid
Property Insights of 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid
The XLogP value of 2.25169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid. The TPSA of 130.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid. Following Lipinski's Rule of Five, 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid has 4 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 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid?
The CAS number of 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid is 315685-33-7.
What is the molecular formula of 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid?
The molecular formula of 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid is C11H8N4O4S.
What is the molecular weight of 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid?
The molecular weight of 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid is 292.03 g/mol.
Where can I buy 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid?
You can request a quote for 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.