2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 312281-46-2) is a chemical compound with molecular formula C18H21F3N2O4 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, A1768/0074910, 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C18H21F3N2O4 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 3.5989 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.14536 |
| Heavy Atoms | 27 |
| Complexity | 731.5621 |
Chemical Identifiers
| CAS Number | 312281-46-2 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCC(F)(F)F |
Product Overview
2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 312281-46-2), with molecular formula C18H21F3N2O4 and molecular weight 386.15 g/mol. IUPAC: 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 3.5989 indicates that 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 2 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 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 312281-46-2.
What is the molecular formula of 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C18H21F3N2O4.
What is the molecular weight of 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 386.15 g/mol.
Where can I buy 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoroethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.