N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide
TL;DR: N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide (CAS 462072-13-5) is a chemical compound with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide
Also Known As: N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide, 2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide, 2-{[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-N-[2-(propan-2-yloxy)phenyl]acetamide
| Molecular Formula | C19H19N5O4S |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 3.8979 |
| Topological Polar Surface Area | 123.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.11578 |
| Heavy Atoms | 29 |
| Complexity | 1003.84393 |
Chemical Identifiers
| CAS Number | 462072-13-5 |
|---|---|
| SMILES | CC(C)OC1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide (CAS 462072-13-5), with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol. IUPAC: 2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide.
Chemical Property Profile of N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide
Property Insights of N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide
The XLogP value of 3.8979 indicates that N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide has 2 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-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide?
The CAS number of N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide is 462072-13-5.
What is the molecular formula of N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide?
The molecular formula of N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide is C19H19N5O4S.
What is the molecular weight of N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide?
The molecular weight of N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide is 413.12 g/mol.
Where can I buy N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide?
You can request a quote for N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)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-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-isopropoxyphenyl)-2-((3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.