![4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide structure](/static/products/577/577762-25-5.png)
4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide
TL;DR: 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide (CAS 577762-25-5) is a chemical compound with molecular formula C17H16N4O4S2 and molecular weight 404.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide
Also Known As: 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide, 4-(3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzenesulfonamide, 4-[3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide, 4-{3-[(4,6-dioxo-2-thioxo(1,3-dihydropyrimidin-5-ylidene))methyl]-2,5-dimethyl pyrrolyl}benzenesulfonamide, 4-{3-[(E)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide
| Molecular Formula | C17H16N4O4S2 |
|---|---|
| Molecular Weight | 404.06 g/mol |
| LogP | 0.65584 |
| Topological Polar Surface Area | 123.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.0613 |
| Heavy Atoms | 27 |
| Complexity | 1090.5474 |
Chemical Identifiers
| CAS Number | 577762-25-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C=C3C(=O)NC(=S)NC3=O |
Product Overview
4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide (CAS 577762-25-5), with molecular formula C17H16N4O4S2 and molecular weight 404.06 g/mol. IUPAC: 4-[3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide.
Chemical Property Profile of 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide
Property Insights of 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide
The XLogP value of 0.65584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide. The TPSA of 123.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide. Following Lipinski's Rule of Five, 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide has 3 hydrogen bond donor(s) and 5 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-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide?
The CAS number of 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide is 577762-25-5.
What is the molecular formula of 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide?
The molecular formula of 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide is C17H16N4O4S2.
What is the molecular weight of 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide?
The molecular weight of 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide is 404.06 g/mol.
Where can I buy 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide?
You can request a quote for 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.