ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
TL;DR: ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate (CAS 1005083-12-4) is a chemical compound with molecular formula C13H15F3N2O5 and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate, ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate, F1168-0189, AF-399/41181822, ethyl 4-hydroxy-6-(5-methyl-2-furyl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
| Molecular Formula | C13H15F3N2O5 |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 1.37212 |
| Topological Polar Surface Area | 100.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.0933 |
| Heavy Atoms | 23 |
| Complexity | 614.99634 |
Chemical Identifiers
| CAS Number | 1005083-12-4 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(O2)C |
Product Overview
ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate (CAS 1005083-12-4), with molecular formula C13H15F3N2O5 and molecular weight 336.09 g/mol. IUPAC: ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Property Insights of ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
The XLogP value of 1.37212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate. The TPSA of 100.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate 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 ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate?
The CAS number of ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate is 1005083-12-4.
What is the molecular formula of ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate?
The molecular formula of ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate is C13H15F3N2O5.
What is the molecular weight of ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate?
The molecular weight of ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate is 336.09 g/mol.
Where can I buy ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate?
You can request a quote for ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.