N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 852049-05-9) is a chemical compound with molecular formula C22H26N6O4S and molecular weight 470.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-cyclohexyl-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-cyclohexyl-2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
| Molecular Formula | C22H26N6O4S |
|---|---|
| Molecular Weight | 470.17 g/mol |
| LogP | 1.7843 |
| Topological Polar Surface Area | 134.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.1736 |
| Heavy Atoms | 33 |
| Complexity | 1199.6143 |
Chemical Identifiers
| CAS Number | 852049-05-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC3CCCCC3)CC4=CC(=O)NC(=O)N4 |
Product Overview
N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 852049-05-9), with molecular formula C22H26N6O4S and molecular weight 470.17 g/mol. IUPAC: N-cyclohexyl-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 1.7843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide. The TPSA of 134.76 Ų falls within the moderate polarity range, balancing permeability and solubility for N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)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 N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 852049-05-9.
What is the molecular formula of N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C22H26N6O4S.
What is the molecular weight of N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 470.17 g/mol.
Where can I buy N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-cyclohexyl-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.