![5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione structure](/static/products/879/879437-78-2.png)
5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione
TL;DR: 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione (CAS 879437-78-2) is a chemical compound with molecular formula C16H14F3N3O5 and molecular weight 385.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione
Also Known As: 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione, 2,5-dihydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-(trifluoromethyl)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-4,6-dione, 5-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione
| Molecular Formula | C16H14F3N3O5 |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 0.4899 |
| Topological Polar Surface Area | 113.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.08856 |
| Heavy Atoms | 27 |
| Complexity | 1027.1816 |
Chemical Identifiers
| CAS Number | 879437-78-2 |
|---|---|
| SMILES | COC1=CC=CC=C1CCN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)O |
Product Overview
5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione (CAS 879437-78-2), with molecular formula C16H14F3N3O5 and molecular weight 385.09 g/mol. IUPAC: 5-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione.
Chemical Property Profile of 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione
Property Insights of 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione
The XLogP value of 0.4899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione. The TPSA of 113.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione. Following Lipinski's Rule of Five, 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione 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 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione?
The CAS number of 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione is 879437-78-2.
What is the molecular formula of 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione?
The molecular formula of 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione is C16H14F3N3O5.
What is the molecular weight of 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione?
The molecular weight of 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione is 385.09 g/mol.
Where can I buy 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione?
You can request a quote for 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-hydroxy-1-(2-methoxyphenethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.