![4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide structure](/static/products/5861/5861-75-6.webp)
4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide
TL;DR: 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide (CAS 5861-75-6) is a chemical compound with molecular formula C18H15N5O3S and molecular weight 381.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide
Also Known As: 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide, 4-methyl-N-[2-(3-nitrophenyl)-1-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)vinyl]benzamide, 4-Methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-2,5-dihydro-1H-1,2,4-triazol-3-yl)ethen-1-yl]benzamide
| Molecular Formula | C18H15N5O3S |
|---|---|
| Molecular Weight | 381.09 g/mol |
| LogP | 3.61201 |
| Topological Polar Surface Area | 116.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.08957 |
| Heavy Atoms | 27 |
| Complexity | 1082.6315 |
Chemical Identifiers
| CAS Number | 5861-75-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C3=NC(=S)NN3 |
Product Overview
4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide (CAS 5861-75-6), with molecular formula C18H15N5O3S and molecular weight 381.09 g/mol. IUPAC: 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide.
Chemical Property Profile of 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide
Property Insights of 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide
The XLogP value of 3.61201 indicates that 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide. Following Lipinski's Rule of Five, 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide has 3 hydrogen bond donor(s) and 5 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 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide?
The CAS number of 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide is 5861-75-6.
What is the molecular formula of 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide?
The molecular formula of 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide is C18H15N5O3S.
What is the molecular weight of 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide?
The molecular weight of 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide is 381.09 g/mol.
Where can I buy 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide?
You can request a quote for 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-[(Z)-2-(3-nitrophenyl)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.