![N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide structure](/static/products/823/823830-64-4.png)
N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide
TL;DR: N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide (CAS 823830-64-4) is a chemical compound with molecular formula C24H26N6O6S and molecular weight 526.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-hydroxy-1-[5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
Also Known As: N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide, N-[2-hydroxy-1-[5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
| Molecular Formula | C24H26N6O6S |
|---|---|
| Molecular Weight | 526.16 g/mol |
| LogP | 2.88352 |
| Topological Polar Surface Area | 161.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 526.16345 |
| Heavy Atoms | 37 |
| Complexity | 1293.3816 |
Chemical Identifiers
| CAS Number | 823830-64-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C(CO)NC(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide (CAS 823830-64-4), with molecular formula C24H26N6O6S and molecular weight 526.16 g/mol. IUPAC: N-[2-hydroxy-1-[5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide.
Chemical Property Profile of N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide
Property Insights of N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide
The XLogP value of 2.88352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide. The TPSA of 161.51 Ų indicates high polarity, suggesting N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide?
The CAS number of N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide is 823830-64-4.
What is the molecular formula of N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide?
The molecular formula of N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide is C24H26N6O6S.
What is the molecular weight of N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide?
The molecular weight of N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide is 526.16 g/mol.
Where can I buy N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide?
You can request a quote for N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.