![3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide structure](/static/products/714/714247-70-8.png)
3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide
TL;DR: 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide (CAS 714247-70-8) is a chemical compound with molecular formula C22H17F3N4O5 and molecular weight 474.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Also Known As: 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide, 3-METHOXY-N-[1-(4-METHYLPHENYL)-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]BENZAMIDE, 3-methoxy-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide, N-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-methoxybenzamide
| Molecular Formula | C22H17F3N4O5 |
|---|---|
| Molecular Weight | 474.12 g/mol |
| LogP | 1.98252 |
| Topological Polar Surface Area | 122.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.1151 |
| Heavy Atoms | 34 |
| Complexity | 1426.1782 |
Chemical Identifiers
| CAS Number | 714247-70-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC(=CC=C4)OC |
Product Overview
3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide (CAS 714247-70-8), with molecular formula C22H17F3N4O5 and molecular weight 474.12 g/mol. IUPAC: 3-methoxy-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide.
Chemical Property Profile of 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide
Property Insights of 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide
The XLogP value of 1.98252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide. The TPSA of 122.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide. Following Lipinski's Rule of Five, 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-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 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 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide?
The CAS number of 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide is 714247-70-8.
What is the molecular formula of 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide?
The molecular formula of 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide is C22H17F3N4O5.
What is the molecular weight of 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide?
The molecular weight of 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide is 474.12 g/mol.
Where can I buy 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide?
You can request a quote for 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-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 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-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 3-methoxy-N-(2,4,6-trioxo-1-(p-tolyl)-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.