![5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole structure](/static/products/799/799824-64-9.png)
5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole
TL;DR: 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole (CAS 799824-64-9) is a chemical compound with molecular formula C15H18N4O5S and molecular weight 366.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-butoxy-3-nitrophenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole
Also Known As: 5-((4-butoxy-3-nitrobenzyl)thio)-2-methyl-4-nitro-1H-imidazole, 5-(4-Butoxy-3-nitro-benzylsulfanyl)-2-methyl-4-nitro-1H-imidazole, 4-[(4-butoxy-3-nitrophenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole, 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole
| Molecular Formula | C15H18N4O5S |
|---|---|
| Molecular Weight | 366.10 g/mol |
| LogP | 4.00572 |
| Topological Polar Surface Area | 124.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 366.0998 |
| Heavy Atoms | 25 |
| Complexity | 777.27734 |
Chemical Identifiers
| CAS Number | 799824-64-9 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)CSC2=C(NC(=N2)C)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole (CAS 799824-64-9), with molecular formula C15H18N4O5S and molecular weight 366.10 g/mol. IUPAC: 4-[(4-butoxy-3-nitrophenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole.
Chemical Property Profile of 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole
Property Insights of 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole
The XLogP value of 4.00572 indicates that 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole. Following Lipinski's Rule of Five, 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole 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 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole?
The CAS number of 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole is 799824-64-9.
What is the molecular formula of 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole?
The molecular formula of 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole is C15H18N4O5S.
What is the molecular weight of 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole?
The molecular weight of 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole is 366.10 g/mol.
Where can I buy 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole?
You can request a quote for 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-butoxy-3-nitrobenzyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.