![N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide structure](/static/products/585/585553-37-3.png)
N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide
TL;DR: N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide (CAS 585553-37-3) is a chemical compound with molecular formula C25H23F3N4O7 and molecular weight 548.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-methoxybenzamide
Also Known As: N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide, N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-methoxybenzamide, N-{1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2,4,6-trioxo-5-trifluoromethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2, 3-d]pyrimidin-5-yl}-4-methoxy-benzamide, N-{1-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}-4-METHOXYBENZAMIDE, N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-methoxybenzamide
| Molecular Formula | C25H23F3N4O7 |
|---|---|
| Molecular Weight | 548.15 g/mol |
| LogP | 1.9448 |
| Topological Polar Surface Area | 140.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.15186 |
| Heavy Atoms | 39 |
| Complexity | 1547.1818 |
Chemical Identifiers
| CAS Number | 585553-37-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)CCC4=CC(=C(C=C4)OC)OC)C(F)(F)F |
Product Overview
N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide (CAS 585553-37-3), with molecular formula C25H23F3N4O7 and molecular weight 548.15 g/mol. IUPAC: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-methoxybenzamide.
Chemical Property Profile of N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide
Property Insights of N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide
The XLogP value of 1.9448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide. The TPSA of 140.75 Ų indicates high polarity, suggesting N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide has 3 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide?
The CAS number of N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide is 585553-37-3.
What is the molecular formula of N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide?
The molecular formula of N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide is C25H23F3N4O7.
What is the molecular weight of N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide?
The molecular weight of N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide is 548.15 g/mol.
Where can I buy N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide?
You can request a quote for N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.