![N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/5779/577986-45-9.webp)
N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 577986-45-9) is a chemical compound with molecular formula C21H19ClN6O2S and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-4,6-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-chloro-4,6-dimethylphenyl)-2-((4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-chloro-4,6-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-chloro-4,6-dimethylphenyl)-2-[4-(2-furylmethyl)-5-pyrazin-2-yl(1,2,4-tria zol-3-ylthio)]acetamide
| Molecular Formula | C21H19ClN6O2S |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 4.37744 |
| Topological Polar Surface Area | 98.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.09787 |
| Heavy Atoms | 31 |
| Complexity | 1171.0676 |
Chemical Identifiers
| CAS Number | 577986-45-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4)C |
Product Overview
N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 577986-45-9), with molecular formula C21H19ClN6O2S and molecular weight 454.10 g/mol. IUPAC: N-(2-chloro-4,6-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 4.37744 indicates that N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.73 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 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-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 577986-45-9.
What is the molecular formula of N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C21H19ClN6O2S.
What is the molecular weight of N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 454.10 g/mol.
Where can I buy N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.