![3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide structure](/static/products/7123/712346-29-7.webp)
3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
TL;DR: 3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide (CAS 712346-29-7) is a chemical compound with molecular formula C23H19F3N4O7 and molecular weight 520.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Also Known As: 3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide, 3,4,5-trimethoxy-N-(2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide, 3,4,5-TRIMETHOXY-N-[2,4,6-TRIOXO-1-PHENYL-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]BENZAMIDE, N-[4-hydroxy-2,6-dioxo-1-phenyl-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3,4,5-trimethoxybenzamide
| Molecular Formula | C23H19F3N4O7 |
|---|---|
| Molecular Weight | 520.12 g/mol |
| LogP | 1.6913 |
| Topological Polar Surface Area | 140.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.1206 |
| Heavy Atoms | 37 |
| Complexity | 1490.4401 |
Chemical Identifiers
| CAS Number | 712346-29-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)C4=CC=CC=C4)C(F)(F)F |
Product Overview
3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide (CAS 712346-29-7), with molecular formula C23H19F3N4O7 and molecular weight 520.12 g/mol. IUPAC: 3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-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-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Property Insights of 3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
The XLogP value of 1.6913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-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-phenyl-5-(trifluoromethyl)-7H-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-phenyl-5-(trifluoromethyl)-7H-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-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide?
The CAS number of 3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide is 712346-29-7.
What is the molecular formula of 3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide?
The molecular formula of 3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide is C23H19F3N4O7.
What is the molecular weight of 3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide?
The molecular weight of 3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide is 520.12 g/mol.
Where can I buy 3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide?
You can request a quote for 3,4,5-trimethoxy-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-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-phenyl-5-(trifluoromethyl)-7H-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-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.