![2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide structure](/static/products/852/852048-86-3.png)
2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
TL;DR: 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide (CAS 852048-86-3) is a chemical compound with molecular formula C22H20N6O4S and molecular weight 464.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Also Known As: 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide, 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide, 2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
| Molecular Formula | C22H20N6O4S |
|---|---|
| Molecular Weight | 464.13 g/mol |
| LogP | 1.9741 |
| Topological Polar Surface Area | 134.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.12668 |
| Heavy Atoms | 33 |
| Complexity | 1351.154 |
Chemical Identifiers
| CAS Number | 852048-86-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 |
Product Overview
2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide (CAS 852048-86-3), with molecular formula C22H20N6O4S and molecular weight 464.13 g/mol. IUPAC: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
Property Insights of 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
The XLogP value of 1.9741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide. The TPSA of 134.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide. Following Lipinski's Rule of Five, 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide 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-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide?
The CAS number of 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide is 852048-86-3.
What is the molecular formula of 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide?
The molecular formula of 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide is C22H20N6O4S.
What is the molecular weight of 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide?
The molecular weight of 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide is 464.13 g/mol.
Where can I buy 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide?
You can request a quote for 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.