![2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide structure](/static/products/5855/585550-92-1.webp)
2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide
TL;DR: 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide (CAS 585550-92-1) is a chemical compound with molecular formula C23H19F3N4O4 and molecular weight 472.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Also Known As: 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide, 2-methyl-N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide, 2-METHYL-N-[2,4,6-TRIOXO-1-PHENETHYL-5-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]BENZAMIDE, 2-methyl-N-[2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide, N-[4-hydroxy-2,6-dioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbenzamide
| Molecular Formula | C23H19F3N4O4 |
|---|---|
| Molecular Weight | 472.14 g/mol |
| LogP | 2.22742 |
| Topological Polar Surface Area | 113.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.13583 |
| Heavy Atoms | 34 |
| Complexity | 1395.8047 |
Chemical Identifiers
| CAS Number | 585550-92-1 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)CCC4=CC=CC=C4)C(F)(F)F |
Product Overview
2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide (CAS 585550-92-1), with molecular formula C23H19F3N4O4 and molecular weight 472.14 g/mol. IUPAC: 2-methyl-N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide.
Chemical Property Profile of 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide
Property Insights of 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide
The XLogP value of 2.22742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide. The TPSA of 113.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide. Following Lipinski's Rule of Five, 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide has 3 hydrogen bond donor(s) and 4 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 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide?
The CAS number of 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide is 585550-92-1.
What is the molecular formula of 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide?
The molecular formula of 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide is C23H19F3N4O4.
What is the molecular weight of 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide?
The molecular weight of 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide is 472.14 g/mol.
Where can I buy 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide?
You can request a quote for 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.