1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole
TL;DR: 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole (CAS 115931-91-4) is a chemical compound with molecular formula C14H14Cl3N3O2S and molecular weight 392.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-5-(2,3-dichloropropylsulfanyl)-2-methyl-4-nitroimidazole
Also Known As: 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole, 1H-Imidazole, 1-((4-chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-, 1-[(4-chlorophenyl)methyl]-5-(2,3-dichloropropylsulfanyl)-2-methyl-4-nitroimidazole, 1-[(4-Chlorophenyl)methyl]-5-[(2,3-dichloropropyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole, BRN 5639845
| Molecular Formula | C14H14Cl3N3O2S |
|---|---|
| Molecular Weight | 392.99 g/mol |
| LogP | 4.73972 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.98724 |
| Heavy Atoms | 23 |
| Complexity | 691.3211 |
Chemical Identifiers
| CAS Number | 115931-91-4 |
|---|---|
| SMILES | CC1=NC(=C(N1CC2=CC=C(C=C2)Cl)SCC(CCl)Cl)[N+](=O)[O-] |
Product Overview
1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole (CAS 115931-91-4), with molecular formula C14H14Cl3N3O2S and molecular weight 392.99 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-5-(2,3-dichloropropylsulfanyl)-2-methyl-4-nitroimidazole.
Chemical Property Profile of 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole
Property Insights of 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole
The XLogP value of 4.73972 indicates that 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole. Following Lipinski's Rule of Five, 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole has 0 hydrogen bond donor(s) and 4 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 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole?
The CAS number of 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole is 115931-91-4.
What is the molecular formula of 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole?
The molecular formula of 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole is C14H14Cl3N3O2S.
What is the molecular weight of 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole?
The molecular weight of 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole is 392.99 g/mol.
Where can I buy 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole?
You can request a quote for 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-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 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-Chlorophenyl)methyl)-5-((2,3-dichloropropyl)thio)-2-methyl-4-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.