![1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione structure](/static/products/900/900895-30-9.png)
1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione
TL;DR: 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione (CAS 900895-30-9) is a chemical compound with molecular formula C14H10F3N3O4 and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione
Also Known As: 1-benzyl-5-hydroxy-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H,5H,7H)-trione, 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione, 5-benzyl-9-hydroxy-9-(trifluoromethyl)-3,5,7-triazabicyclo[4.3.0]non-10-ene-2,4,8-trione, 1-benzyl-2,5-dihydroxy-5-(trifluoromethyl)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-4,6-dione
| Molecular Formula | C14H10F3N3O4 |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 0.2869 |
| Topological Polar Surface Area | 104.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.06235 |
| Heavy Atoms | 24 |
| Complexity | 933.0065 |
Chemical Identifiers
| CAS Number | 900895-30-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)O |
Product Overview
1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione (CAS 900895-30-9), with molecular formula C14H10F3N3O4 and molecular weight 341.06 g/mol. IUPAC: 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione.
Chemical Property Profile of 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione
Property Insights of 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione
The XLogP value of 0.2869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione. The TPSA of 104.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione. Following Lipinski's Rule of Five, 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione has 3 hydrogen bond donor(s) and 4 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 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione?
The CAS number of 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione is 900895-30-9.
What is the molecular formula of 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione?
The molecular formula of 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione is C14H10F3N3O4.
What is the molecular weight of 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione?
The molecular weight of 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione is 341.06 g/mol.
Where can I buy 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione?
You can request a quote for 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.