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 540.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C24H20ClF3N2O5S |
|---|---|
| Molecular Weight | 540.07 g/mol |
| LogP | 5.093 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.07336 |
| Heavy Atoms | 36 |
| Complexity | 1253.638 |
Chemical Identifiers
| CAS Number | 1005051-26-2 |
|---|---|
| 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 |
Product Overview
6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one (CAS 1005051-26-2), with molecular formula C24H20ClF3N2O5S and molecular weight 540.07 g/mol. IUPAC: 6-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
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 5.093 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 96.89 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 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 540.07 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
Yes, KEHONG BIO 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.