![N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide structure](/static/products/7673/767326-91-0.webp)
N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
TL;DR: N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide (CAS 767326-91-0) is a chemical compound with molecular formula C21H21N5O4S and molecular weight 439.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-ethyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
Also Known As: N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide, N-[[4-ethyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
| Molecular Formula | C21H21N5O4S |
|---|---|
| Molecular Weight | 439.13 g/mol |
| LogP | 3.41962 |
| Topological Polar Surface Area | 120.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 439.13144 |
| Heavy Atoms | 31 |
| Complexity | 1128.4628 |
Chemical Identifiers
| CAS Number | 767326-91-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CNC(=O)C3=CC=CC(=C3)C |
Product Overview
N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide (CAS 767326-91-0), with molecular formula C21H21N5O4S and molecular weight 439.13 g/mol. IUPAC: N-[[4-ethyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide.
Chemical Property Profile of N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
Property Insights of N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
The XLogP value of 3.41962 indicates that N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide. Following Lipinski's Rule of Five, N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide 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-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide?
The CAS number of N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide is 767326-91-0.
What is the molecular formula of N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide?
The molecular formula of N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide is C21H21N5O4S.
What is the molecular weight of N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide?
The molecular weight of N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide is 439.13 g/mol.
Where can I buy N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide?
You can request a quote for N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.