![3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide structure](/static/products/3922/392247-75-5.webp)
3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
TL;DR: 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 392247-75-5) is a chemical compound with molecular formula C17H15N5O4S and molecular weight 385.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide, F0475-0104, 3-methoxy-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide, 3-methoxy-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide
| Molecular Formula | C17H15N5O4S |
|---|---|
| Molecular Weight | 385.08 g/mol |
| LogP | 2.77669 |
| Topological Polar Surface Area | 115.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.08447 |
| Heavy Atoms | 27 |
| Complexity | 1041.9774 |
Chemical Identifiers
| CAS Number | 392247-75-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 392247-75-5), with molecular formula C17H15N5O4S and molecular weight 385.08 g/mol. IUPAC: 3-methoxy-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Property Insights of 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
The XLogP value of 2.77669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide. The TPSA of 115.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide. Following Lipinski's Rule of Five, 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide has 2 hydrogen bond donor(s) and 6 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 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
The CAS number of 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide is 392247-75-5.
What is the molecular formula of 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular formula of 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide is C17H15N5O4S.
What is the molecular weight of 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular weight of 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide is 385.08 g/mol.
Where can I buy 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
You can request a quote for 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.