![3,4,5-trimethoxy-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/714/714228-91-8.png)
3,4,5-trimethoxy-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: 3,4,5-trimethoxy-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 714228-91-8) is a chemical compound with molecular formula C24H21F3N4O7 and molecular weight 534.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Also Known As: 3,4,5-trimethoxy-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, 3,4,5-TRIMETHOXY-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, 3,4,5-trimethoxy-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]-3,4,5-trimethoxybenzamide
| Molecular Formula | C24H21F3N4O7 |
|---|---|
| Molecular Weight | 534.14 g/mol |
| LogP | 1.99972 |
| Topological Polar Surface Area | 140.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.1362 |
| Heavy Atoms | 38 |
| Complexity | 1536.1447 |
Chemical Identifiers
| CAS Number | 714228-91-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
3,4,5-trimethoxy-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 714228-91-8), with molecular formula C24H21F3N4O7 and molecular weight 534.14 g/mol. IUPAC: 3,4,5-trimethoxy-N-[1-(4-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide.
Chemical Property Profile of 3,4,5-trimethoxy-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 3,4,5-trimethoxy-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 1.99972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-trimethoxy-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 140.75 Ų indicates high polarity, suggesting 3,4,5-trimethoxy-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 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,4,5-trimethoxy-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 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,5-trimethoxy-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 3,4,5-trimethoxy-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 714228-91-8.
What is the molecular formula of 3,4,5-trimethoxy-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 3,4,5-trimethoxy-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 C24H21F3N4O7.
What is the molecular weight of 3,4,5-trimethoxy-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 3,4,5-trimethoxy-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 534.14 g/mol.
Where can I buy 3,4,5-trimethoxy-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 3,4,5-trimethoxy-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 3,4,5-trimethoxy-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 3,4,5-trimethoxy-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.