4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
TL;DR: 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one (CAS 382592-80-5) is a chemical compound with molecular formula C17H15F3N2O5S and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 4-HYDROXY-6-(4-HYDROXY-3-METHOXYPHENYL)-5-(2-THIENYLCARBONYL)-4-(TRIFLUOROMETHYL)TETRAHYDRO-2(1H)-PYRIMIDINONE, 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophen-2-ylcarbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 644-540-0
| Molecular Formula | C17H15F3N2O5S |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 2.5662 |
| Topological Polar Surface Area | 107.89 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.06537 |
| Heavy Atoms | 28 |
| Complexity | 902.693 |
Chemical Identifiers
| CAS Number | 382592-80-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)O |
Product Overview
4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one (CAS 382592-80-5), with molecular formula C17H15F3N2O5S and molecular weight 416.07 g/mol. IUPAC: 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
Property Insights of 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
The XLogP value of 2.5662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one. The TPSA of 107.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one has 4 hydrogen bond donor(s) and 6 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 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
The CAS number of 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one is 382592-80-5.
What is the molecular formula of 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
The molecular formula of 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one is C17H15F3N2O5S.
What is the molecular weight of 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
The molecular weight of 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one is 416.07 g/mol.
Where can I buy 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
You can request a quote for 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-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 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.