![N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide structure](/static/products/713/713091-68-0.png)
N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide
TL;DR: N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide (CAS 713091-68-0) is a chemical compound with molecular formula C17H15F3N4O4 and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Also Known As: N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide, N-[2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide, N-(2,4,6-Trioxo-1-phenethyl-5-trifluoromethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-ac etamide, N-[4-hydroxy-2,6-dioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
| Molecular Formula | C17H15F3N4O4 |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 0.6251 |
| Topological Polar Surface Area | 113.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.10455 |
| Heavy Atoms | 28 |
| Complexity | 1058.7977 |
Chemical Identifiers
| CAS Number | 713091-68-0 |
|---|---|
| SMILES | CC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)CCC3=CC=CC=C3)C(F)(F)F |
Product Overview
N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide (CAS 713091-68-0), with molecular formula C17H15F3N4O4 and molecular weight 396.10 g/mol. IUPAC: N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide.
Chemical Property Profile of N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide
Property Insights of N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide
The XLogP value of 0.6251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide. The TPSA of 113.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide. Following Lipinski's Rule of Five, N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide 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 N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide?
The CAS number of N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide is 713091-68-0.
What is the molecular formula of N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide?
The molecular formula of N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide is C17H15F3N4O4.
What is the molecular weight of N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide?
The molecular weight of N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide is 396.10 g/mol.
Where can I buy N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide?
You can request a quote for N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4,6-trioxo-1-phenethyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.