![4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide structure](/static/products/942/94206-39-0.png)
4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide
TL;DR: 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide (CAS 94206-39-0) is a chemical compound with molecular formula C16H13N5O4S2 and molecular weight 403.04 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]-N-pyridin-2-ylbenzenesulfonamide
Also Known As: 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide, 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-N-pyridin-2-ylbenzenesulfonamide, 4-{[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide
| Molecular Formula | C16H13N5O4S2 |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 2.08449 |
| Topological Polar Surface Area | 140.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.0409 |
| Heavy Atoms | 27 |
| Complexity | 1200.0532 |
Chemical Identifiers
| CAS Number | 94206-39-0 |
|---|---|
| SMILES | C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C(NC(=S)NC3=O)O |
Product Overview
4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide (CAS 94206-39-0), with molecular formula C16H13N5O4S2 and molecular weight 403.04 g/mol. IUPAC: 4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.
Chemical Property Profile of 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide
Property Insights of 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide
The XLogP value of 2.08449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide. The TPSA of 140.3 Ų indicates high polarity, suggesting 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide has 4 hydrogen bond donor(s) and 7 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-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide?
The CAS number of 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide is 94206-39-0.
What is the molecular formula of 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide?
The molecular formula of 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide is C16H13N5O4S2.
What is the molecular weight of 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide?
The molecular weight of 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide is 403.04 g/mol.
Where can I buy 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide?
You can request a quote for 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide 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-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4,6-Dioxo-2-sulfanylidenetetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(pyridin-2-yl)benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.