6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
TL;DR: 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one (CAS 1005041-51-9) is a chemical compound with molecular formula C17H15F3N2O4S and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one, 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, REGID_for_CID_3240042
| Molecular Formula | C17H15F3N2O4S |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 2.8998 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.07047 |
| Heavy Atoms | 27 |
| Complexity | 854.06354 |
Chemical Identifiers
| CAS Number | 1005041-51-9 |
|---|---|
| SMILES | CN1C(=O)NC(C(C1(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)O |
Product Overview
6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one (CAS 1005041-51-9), with molecular formula C17H15F3N2O4S and molecular weight 400.07 g/mol. IUPAC: 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
Property Insights of 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
The XLogP value of 2.8998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one 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 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
The CAS number of 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one is 1005041-51-9.
What is the molecular formula of 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
The molecular formula of 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one is C17H15F3N2O4S.
What is the molecular weight of 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
The molecular weight of 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one is 400.07 g/mol.
Where can I buy 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
You can request a quote for 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.