6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione
TL;DR: 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione (CAS 892471-13-5) is a chemical compound with molecular formula C22H18F3N5O3S and molecular weight 489.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(3-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[4-(3-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-{[4-(3-methoxyphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C22H18F3N5O3S |
|---|---|
| Molecular Weight | 489.11 g/mol |
| LogP | 3.5544 |
| Topological Polar Surface Area | 105.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.10825 |
| Heavy Atoms | 34 |
| Complexity | 1399.7953 |
Chemical Identifiers
| CAS Number | 892471-13-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=NN=C2SCC3=CC(=CC=C3)C(F)(F)F)CC4=CC(=O)NC(=O)N4 |
Product Overview
6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione (CAS 892471-13-5), with molecular formula C22H18F3N5O3S and molecular weight 489.11 g/mol. IUPAC: 6-[[4-(3-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione
Property Insights of 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione
The XLogP value of 3.5544 indicates that 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione has 2 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 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione?
The CAS number of 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione is 892471-13-5.
What is the molecular formula of 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione is C22H18F3N5O3S.
What is the molecular weight of 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione is 489.11 g/mol.
Where can I buy 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-((4-(3-methoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.