![[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate structure](/static/products/7499/749908-08-5.webp)
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate
TL;DR: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate (CAS 749908-08-5) 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.
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate
Also Known As: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate|2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoethyl 4-(trifluoromethyl)benzoate|MLS002248488|SMR001315955
| Molecular Formula | C16H14F3N3O5 |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 0.7247 |
| Topological Polar Surface Area | 113.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.08856 |
| Heavy Atoms | 27 |
| Complexity | 1019.8122 |
Chemical Identifiers
| CAS Number | 749908-08-5 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=C(C=C2)C(F)(F)F)N |
Product Overview
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate (CAS 749908-08-5), with molecular formula C16H14F3N3O5 and molecular weight 385.09 g/mol. IUPAC: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate.
Chemical Property Profile of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate
Property Insights of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate
The XLogP value of 0.7247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate. The TPSA of 113.39 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate. Following Lipinski's Rule of Five, [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate has 1 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 [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate?
The CAS number of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate is 749908-08-5.
What is the molecular formula of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate?
The molecular formula of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate is C16H14F3N3O5.
What is the molecular weight of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate?
The molecular weight of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate is 385.09 g/mol.
Where can I buy [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate?
You can request a quote for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.