6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
TL;DR: 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one (CAS 1005051-26-2) is a chemical compound with molecular formula C24H20ClF3N2O5S and molecular weight 540.07336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, F1168-0242, 6-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, 6-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Technical Specifications
| Molecular Formula | C24H20ClF3N2O5S |
| Molecular Weight | 540.07336 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.07336 Da |
| Heavy Atoms | 36 |
| Complexity | 800.0 |
| SMILES | COC1=C(C=CC(=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)OCC4=CC=C(C=C4)Cl |
| InChIKey | FFPOFFWKSHSDKU-UHFFFAOYSA-N |
Chemical Property Profile of 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
Property Insights of 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
The XLogP value of 5.1 indicates that 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
The CAS number of 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one is 1005051-26-2.
What is the molecular formula of 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
The molecular formula of 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one is C24H20ClF3N2O5S.
What is the molecular weight of 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
The molecular weight of 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one is 540.07336 g/mol.
Where can I buy 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
You can request a quote for 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
Yes, CoreyChem provides custom synthesis services for 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.