2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
TL;DR: 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide (CAS 852048-41-0) is a chemical compound with molecular formula C22H22N6O4S and molecular weight 466.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2,5-dimethylphenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide, 2-[[4-(2,5-dimethylphenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide, 2-{[4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide, 2-({4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-(2-furylmethyl)acetamide
| Molecular Formula | C22H22N6O4S |
|---|---|
| Molecular Weight | 466.14 g/mol |
| LogP | 1.85304 |
| Topological Polar Surface Area | 138.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.14233 |
| Heavy Atoms | 33 |
| Complexity | 1358.3845 |
Chemical Identifiers
| CAS Number | 852048-41-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)CC4=CC(=O)NC(=O)N4 |
Product Overview
2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide (CAS 852048-41-0), with molecular formula C22H22N6O4S and molecular weight 466.14 g/mol. IUPAC: 2-[[4-(2,5-dimethylphenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
Property Insights of 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
The XLogP value of 1.85304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide. The TPSA of 138.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide. Following Lipinski's Rule of Five, 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide has 3 hydrogen bond donor(s) and 7 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 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The CAS number of 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is 852048-41-0.
What is the molecular formula of 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The molecular formula of 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is C22H22N6O4S.
What is the molecular weight of 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The molecular weight of 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is 466.14 g/mol.
Where can I buy 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
You can request a quote for 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(2,5-dimethylphenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.