![4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide structure](/static/products/3494/349486-81-3.webp)
4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide
TL;DR: 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide (CAS 349486-81-3) is a chemical compound with molecular formula C11H10N4O4S2 and molecular weight 326.01 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)methylideneamino]benzenesulfonamide
Also Known As: 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide, 4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzenesulfonamide, 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzenesulfonamide, 4-{[(4,6-dioxo-2-thioxo-1,3-dihydropyrimidin-5-ylidene)methyl]amino}benzenesul fonamide, 4-{[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzenesulfonamide
| Molecular Formula | C11H10N4O4S2 |
|---|---|
| Molecular Weight | 326.01 g/mol |
| LogP | 0.53609 |
| Topological Polar Surface Area | 141.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.01434 |
| Heavy Atoms | 21 |
| Complexity | 910.4748 |
Chemical Identifiers
| CAS Number | 349486-81-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N=CC2=C(NC(=S)NC2=O)O)S(=O)(=O)N |
Product Overview
4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide (CAS 349486-81-3), with molecular formula C11H10N4O4S2 and molecular weight 326.01 g/mol. IUPAC: 4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzenesulfonamide.
Chemical Property Profile of 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide
Property Insights of 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide
The XLogP value of 0.53609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide. The TPSA of 141.4 Ų indicates high polarity, suggesting 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide 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-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide?
The CAS number of 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide is 349486-81-3.
What is the molecular formula of 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide?
The molecular formula of 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide is C11H10N4O4S2.
What is the molecular weight of 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide?
The molecular weight of 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide is 326.01 g/mol.
Where can I buy 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide?
You can request a quote for 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.