N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide
TL;DR: N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide (CAS 476449-16-8) is a chemical compound with molecular formula C22H25N5O4S and molecular weight 455.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-butyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Also Known As: N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide, F0528-0637, N-[[4-butyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide, N-[(4-butyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide, N-[[4-butyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide
| Molecular Formula | C22H25N5O4S |
|---|---|
| Molecular Weight | 455.16 g/mol |
| LogP | 4.2173 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 455.16272 |
| Heavy Atoms | 32 |
| Complexity | 1051.1881 |
Chemical Identifiers
| CAS Number | 476449-16-8 |
|---|---|
| SMILES | CCCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CC=C(C=C3)OC |
Product Overview
N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide (CAS 476449-16-8), with molecular formula C22H25N5O4S and molecular weight 455.16 g/mol. IUPAC: N-[[4-butyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide.
Chemical Property Profile of N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide
Property Insights of N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide
The XLogP value of 4.2173 indicates that N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide. Following Lipinski's Rule of Five, N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide 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 N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide?
The CAS number of N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide is 476449-16-8.
What is the molecular formula of N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide?
The molecular formula of N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide is C22H25N5O4S.
What is the molecular weight of N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide?
The molecular weight of N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide is 455.16 g/mol.
Where can I buy N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide?
You can request a quote for N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-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-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-butyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.