![4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid structure](/static/products/677/677329-46-3.png)
4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid
TL;DR: 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid (CAS 677329-46-3) 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.
4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzoic acid
Also Known As: 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid, 4-[2-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)hydrazinyl]benzoic acid, 4-{[(4,6-dioxo-2-thioxo-1,3-dihydropyrimidin-5-ylidene)azamethyl]amino}benzoic acid, (E)-4-(2-(4-hydroxy-6-oxo-2-thioxo-1,6-dihydropyrimidin-5(2H)-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 | 791.3058 |
Chemical Identifiers
| CAS Number | 677329-46-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N=NC2=C(NC(=S)NC2=O)O |
Product Overview
4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid (CAS 677329-46-3), with molecular formula C11H8N4O4S and molecular weight 292.03 g/mol. IUPAC: 4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzoic acid.
Chemical Property Profile of 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid
Property Insights of 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid
The XLogP value of 2.25169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid. The TPSA of 130.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid. Following Lipinski's Rule of Five, 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]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 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid?
The CAS number of 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid is 677329-46-3.
What is the molecular formula of 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid?
The molecular formula of 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid is C11H8N4O4S.
What is the molecular weight of 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid?
The molecular weight of 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid is 292.03 g/mol.
Where can I buy 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid?
You can request a quote for 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.