![4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide structure](/static/products/7123/712346-09-3.webp)
4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
TL;DR: 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide (CAS 712346-09-3) is a chemical compound with molecular formula C21H17F3N4O5S and molecular weight 494.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
Also Known As: 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide, 4-methyl-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide, 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide, N-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-methylbenzenesulfonamide
| Molecular Formula | C21H17F3N4O5S |
|---|---|
| Molecular Weight | 494.09 g/mol |
| LogP | 1.83084 |
| Topological Polar Surface Area | 130.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.0872 |
| Heavy Atoms | 34 |
| Complexity | 1525.0492 |
Chemical Identifiers
| CAS Number | 712346-09-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NS(=O)(=O)C4=CC=C(C=C4)C |
Product Overview
4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide (CAS 712346-09-3), with molecular formula C21H17F3N4O5S and molecular weight 494.09 g/mol. IUPAC: 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide.
Chemical Property Profile of 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
Property Insights of 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
The XLogP value of 1.83084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide. The TPSA of 130.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide. Following Lipinski's Rule of Five, 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-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-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide?
The CAS number of 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide is 712346-09-3.
What is the molecular formula of 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide?
The molecular formula of 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide is C21H17F3N4O5S.
What is the molecular weight of 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide?
The molecular weight of 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide is 494.09 g/mol.
Where can I buy 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide?
You can request a quote for 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-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-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.