![2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide structure](/static/products/5917/591764-86-2.webp)
2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide
TL;DR: 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide (CAS 591764-86-2) is a chemical compound with molecular formula C23H26N6O5S and molecular weight 498.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide
Also Known As: 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide, 2-(2,6-dimethylphenoxy)-N-{[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide
| Molecular Formula | C23H26N6O5S |
|---|---|
| Molecular Weight | 498.17 g/mol |
| LogP | 3.07456 |
| Topological Polar Surface Area | 141.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 498.16855 |
| Heavy Atoms | 35 |
| Complexity | 1238.9441 |
Chemical Identifiers
| CAS Number | 591764-86-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC(=O)NCC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C |
Product Overview
2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide (CAS 591764-86-2), with molecular formula C23H26N6O5S and molecular weight 498.17 g/mol. IUPAC: 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide.
Chemical Property Profile of 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide
Property Insights of 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide
The XLogP value of 3.07456 indicates that 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.28 Ų indicates high polarity, suggesting 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide has 2 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-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide?
The CAS number of 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide is 591764-86-2.
What is the molecular formula of 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide?
The molecular formula of 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide is C23H26N6O5S.
What is the molecular weight of 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide?
The molecular weight of 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide is 498.17 g/mol.
Where can I buy 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide?
You can request a quote for 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,6-dimethylphenoxy)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.