![2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide structure](/static/products/832/832095-27-9.png)
2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide
TL;DR: 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide (CAS 832095-27-9) is a chemical compound with molecular formula C22H23N5O5S and molecular weight 469.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-N-[1-[4-methyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide
Also Known As: 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide, 2-(4-methoxyphenyl)-N-[1-[4-methyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide
| Molecular Formula | C22H23N5O5S |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 3.1268 |
| Topological Polar Surface Area | 129.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 469.142 |
| Heavy Atoms | 33 |
| Complexity | 1162.2382 |
Chemical Identifiers
| CAS Number | 832095-27-9 |
|---|---|
| SMILES | CC(C1=NN=C(N1C)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CC3=CC=C(C=C3)OC |
Product Overview
2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide (CAS 832095-27-9), with molecular formula C22H23N5O5S and molecular weight 469.14 g/mol. IUPAC: 2-(4-methoxyphenyl)-N-[1-[4-methyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide.
Chemical Property Profile of 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide
Property Insights of 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide
The XLogP value of 3.1268 indicates that 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide. Following Lipinski's Rule of Five, 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]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-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide?
The CAS number of 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide is 832095-27-9.
What is the molecular formula of 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide?
The molecular formula of 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide is C22H23N5O5S.
What is the molecular weight of 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide?
The molecular weight of 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide is 469.14 g/mol.
Where can I buy 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide?
You can request a quote for 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]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-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.