![2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide structure](/static/products/5178/517869-83-9.webp)
2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide
TL;DR: 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide (CAS 517869-83-9) is a chemical compound with molecular formula C22H26N6O3S and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
Also Known As: 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide, 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide, 2-((4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide, 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide, 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide
| Molecular Formula | C22H26N6O3S |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 3.9883 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.1787 |
| Heavy Atoms | 32 |
| Complexity | 1030.8247 |
Chemical Identifiers
| CAS Number | 517869-83-9 |
|---|---|
| SMILES | COC1=CC(=NC(=N1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4)OC |
Product Overview
2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide (CAS 517869-83-9), with molecular formula C22H26N6O3S and molecular weight 454.18 g/mol. IUPAC: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide.
Chemical Property Profile of 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide
Property Insights of 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide
The XLogP value of 3.9883 indicates that 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide. Following Lipinski's Rule of Five, 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide has 1 hydrogen bond donor(s) and 8 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-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide?
The CAS number of 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide is 517869-83-9.
What is the molecular formula of 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide?
The molecular formula of 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide is C22H26N6O3S.
What is the molecular weight of 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide?
The molecular weight of 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide is 454.18 g/mol.
Where can I buy 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide?
You can request a quote for 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)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-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.