![4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide structure](/static/products/7673/767326-27-2.webp)
4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
TL;DR: 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 767326-27-2) is a chemical compound with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide, 4-methoxy-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C19H19N5O4S |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 2.9542 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.11578 |
| Heavy Atoms | 29 |
| Complexity | 1002.4439 |
Chemical Identifiers
| CAS Number | 767326-27-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CC=C(C=C3)OC |
Product Overview
4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 767326-27-2), with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol. IUPAC: 4-methoxy-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Property Insights of 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
The XLogP value of 2.9542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide. Following Lipinski's Rule of Five, 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide has 1 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 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The CAS number of 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide is 767326-27-2.
What is the molecular formula of 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular formula of 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide is C19H19N5O4S.
What is the molecular weight of 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular weight of 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide is 413.12 g/mol.
Where can I buy 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
You can request a quote for 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-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 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.