![N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide structure](/static/products/714/714207-31-5.png)
N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide
TL;DR: N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide (CAS 714207-31-5) is a chemical compound with molecular formula C22H25F3N4O6 and molecular weight 498.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[7-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-methylbutanamide
Also Known As: N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide, N-[7-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-methylbutanamide, N-[7-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-methylbutanamide, N-{7-[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}-3-METHYLBUTANAMIDE, N-{7-[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}-3-methylbutanamide
| Molecular Formula | C22H25F3N4O6 |
|---|---|
| Molecular Weight | 498.17 g/mol |
| LogP | 1.5896 |
| Topological Polar Surface Area | 133.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.1726 |
| Heavy Atoms | 35 |
| Complexity | 1252.9729 |
Chemical Identifiers
| CAS Number | 714207-31-5 |
|---|---|
| SMILES | CC(C)CC(=O)NC1(C2=C(NC(=O)NC2=O)N(C1=O)CCC3=CC(=C(C=C3)OC)OC)C(F)(F)F |
Product Overview
N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide (CAS 714207-31-5), with molecular formula C22H25F3N4O6 and molecular weight 498.17 g/mol. IUPAC: N-[7-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-methylbutanamide.
Chemical Property Profile of N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide
Property Insights of N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide
The XLogP value of 1.5896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide. The TPSA of 133.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide. Following Lipinski's Rule of Five, N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide has 3 hydrogen bond donor(s) and 6 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-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide?
The CAS number of N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide is 714207-31-5.
What is the molecular formula of N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide?
The molecular formula of N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide is C22H25F3N4O6.
What is the molecular weight of N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide?
The molecular weight of N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide is 498.17 g/mol.
Where can I buy N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide?
You can request a quote for N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(7-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.