![N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide structure](/static/products/714/714255-66-0.png)
N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide
TL;DR: N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide (CAS 714255-66-0) is a chemical compound with molecular formula C23H19F3N4O6 and molecular weight 504.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,4-dimethoxybenzamide
Also Known As: N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide, N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,4-dimethoxybenzamide, N-[1-benzyl-2-hydroxy-4,6-dioxo-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,4-dimethoxybenzamide, N-[1-benzyl-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,4-dimethoxybenzamide
| Molecular Formula | C23H19F3N4O6 |
|---|---|
| Molecular Weight | 504.13 g/mol |
| LogP | 1.7418 |
| Topological Polar Surface Area | 131.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.12567 |
| Heavy Atoms | 36 |
| Complexity | 1465.3964 |
Chemical Identifiers
| CAS Number | 714255-66-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)CC4=CC=CC=C4)C(F)(F)F)OC |
Product Overview
N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide (CAS 714255-66-0), with molecular formula C23H19F3N4O6 and molecular weight 504.13 g/mol. IUPAC: N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,4-dimethoxybenzamide.
Chemical Property Profile of N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide
Property Insights of N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide
The XLogP value of 1.7418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide. The TPSA of 131.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide?
The CAS number of N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide is 714255-66-0.
What is the molecular formula of N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide?
The molecular formula of N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide is C23H19F3N4O6.
What is the molecular weight of N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide?
The molecular weight of N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide is 504.13 g/mol.
Where can I buy N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide?
You can request a quote for N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,4-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.