![N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide structure](/static/products/6932/693238-03-8.webp)
N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide
TL;DR: N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide (CAS 693238-03-8) is a chemical compound with molecular formula C23H26N6O4S and molecular weight 482.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-methyl-1-[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
Also Known As: N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide, N-[2-methyl-1-[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide, N-{2-METHYL-1-[4-METHYL-5-({[(2-METHYL-5-NITROPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,4-TRIAZOL-3-YL]PROPYL}BENZAMIDE
| Molecular Formula | C23H26N6O4S |
|---|---|
| Molecular Weight | 482.17 g/mol |
| LogP | 3.88962 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 482.1736 |
| Heavy Atoms | 34 |
| Complexity | 1195.4259 |
Chemical Identifiers
| CAS Number | 693238-03-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C(C(C)C)NC(=O)C3=CC=CC=C3 |
Product Overview
N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide (CAS 693238-03-8), with molecular formula C23H26N6O4S and molecular weight 482.17 g/mol. IUPAC: N-[2-methyl-1-[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide.
Chemical Property Profile of N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide
Property Insights of N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide
The XLogP value of 3.88962 indicates that N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide 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 N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide. Following Lipinski's Rule of Five, N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide 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-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide?
The CAS number of N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide is 693238-03-8.
What is the molecular formula of N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide?
The molecular formula of N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide is C23H26N6O4S.
What is the molecular weight of N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide?
The molecular weight of N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide is 482.17 g/mol.
Where can I buy N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide?
You can request a quote for N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-methyl-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.