![2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide structure](/static/products/7019/701938-80-9.webp)
2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide
TL;DR: 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide (CAS 701938-80-9) is a chemical compound with molecular formula C23H27N5O5S and molecular weight 485.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
Also Known As: 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide, 2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
| Molecular Formula | C23H27N5O5S |
|---|---|
| Molecular Weight | 485.17 g/mol |
| LogP | 4.53154 |
| Topological Polar Surface Area | 121.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 485.17328 |
| Heavy Atoms | 34 |
| Complexity | 1180.5527 |
Chemical Identifiers
| CAS Number | 701938-80-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)COC3=C(C=C(C=C3)C)OCC |
Product Overview
2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide (CAS 701938-80-9), with molecular formula C23H27N5O5S and molecular weight 485.17 g/mol. IUPAC: 2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide.
Chemical Property Profile of 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide
Property Insights of 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide
The XLogP value of 4.53154 indicates that 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)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-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide?
The CAS number of 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide is 701938-80-9.
What is the molecular formula of 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide?
The molecular formula of 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide is C23H27N5O5S.
What is the molecular weight of 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide?
The molecular weight of 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide is 485.17 g/mol.
Where can I buy 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide?
You can request a quote for 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide 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-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.