![2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide structure](/static/products/7142/714281-96-6.webp)
2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
TL;DR: 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide (CAS 714281-96-6) is a chemical compound with molecular formula C22H21ClN6O4S and molecular weight 500.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide
Also Known As: 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide, N-(3-chloro-4-methylphenyl)-2-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide
| Molecular Formula | C22H21ClN6O4S |
|---|---|
| Molecular Weight | 500.10 g/mol |
| LogP | 4.24612 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 500.10336 |
| Heavy Atoms | 34 |
| Complexity | 1228.6328 |
Chemical Identifiers
| CAS Number | 714281-96-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide (CAS 714281-96-6), with molecular formula C22H21ClN6O4S and molecular weight 500.10 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide.
Chemical Property Profile of 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Property Insights of 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
The XLogP value of 4.24612 indicates that 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide?
The CAS number of 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide is 714281-96-6.
What is the molecular formula of 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide?
The molecular formula of 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide is C22H21ClN6O4S.
What is the molecular weight of 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide?
The molecular weight of 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide is 500.10 g/mol.
Where can I buy 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide?
You can request a quote for 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-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-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.