![N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide structure](/static/products/879/879448-01-8.png)
N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide
TL;DR: N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide (CAS 879448-01-8) is a chemical compound with molecular formula C17H15F3N4O5 and molecular weight 412.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(4-methoxyphenyl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Also Known As: N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide, N-[1-[(4-methoxyphenyl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide, N-[2-hydroxy-1-(4-methoxybenzyl)-4,6-dioxo-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
| Molecular Formula | C17H15F3N4O5 |
|---|---|
| Molecular Weight | 412.10 g/mol |
| LogP | 0.4393 |
| Topological Polar Surface Area | 122.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.09946 |
| Heavy Atoms | 29 |
| Complexity | 1104.0222 |
Chemical Identifiers
| CAS Number | 879448-01-8 |
|---|---|
| SMILES | CC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)CC3=CC=C(C=C3)OC)C(F)(F)F |
Product Overview
N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide (CAS 879448-01-8), with molecular formula C17H15F3N4O5 and molecular weight 412.10 g/mol. IUPAC: N-[1-[(4-methoxyphenyl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide.
Chemical Property Profile of N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide
Property Insights of N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide
The XLogP value of 0.4393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide. The TPSA of 122.29 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-(4-methoxybenzyl)-2,4,6-trioxo-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-(1-(4-methoxybenzyl)-2,4,6-trioxo-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 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 N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide?
The CAS number of N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide is 879448-01-8.
What is the molecular formula of N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide?
The molecular formula of N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide is C17H15F3N4O5.
What is the molecular weight of N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide?
The molecular weight of N-(1-(4-methoxybenzyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide is 412.10 g/mol.
Where can I buy N-(1-(4-methoxybenzyl)-2,4,6-trioxo-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-(1-(4-methoxybenzyl)-2,4,6-trioxo-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-(1-(4-methoxybenzyl)-2,4,6-trioxo-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-(1-(4-methoxybenzyl)-2,4,6-trioxo-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.