1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-
TL;DR: 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)- (CAS 110579-13-0) is a chemical compound with molecular formula C13H14ClN3O2S and molecular weight 311.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-(2-chloroethylsulfanyl)-2-methyl-4-nitroimidazole
Also Known As: 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-, 5-((2-Chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-1H-imidazole, 1-benzyl-5-((2-chloroethyl)thio)-2-methyl-4-nitro-1H-imidazole, 1-benzyl-5-(2-chloroethylsulfanyl)-2-methyl-4-nitroimidazole, 1-benzyl-5-[(2-chloroethyl)sulfanyl]-2-methyl-4-nitro-1H-imidazole
| Molecular Formula | C13H14ClN3O2S |
|---|---|
| Molecular Weight | 311.05 g/mol |
| LogP | 3.47892 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.04953 |
| Heavy Atoms | 20 |
| Complexity | 601.16376 |
Chemical Identifiers
| CAS Number | 110579-13-0 |
|---|---|
| SMILES | CC1=NC(=C(N1CC2=CC=CC=C2)SCCCl)[N+](=O)[O-] |
Product Overview
1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)- (CAS 110579-13-0), with molecular formula C13H14ClN3O2S and molecular weight 311.05 g/mol. IUPAC: 1-benzyl-5-(2-chloroethylsulfanyl)-2-methyl-4-nitroimidazole.
Chemical Property Profile of 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-
Property Insights of 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-
The XLogP value of 3.47892 indicates that 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)- 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 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-. Following Lipinski's Rule of Five, 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)- 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 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-?
The CAS number of 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)- is 110579-13-0.
What is the molecular formula of 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-?
The molecular formula of 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)- is C13H14ClN3O2S.
What is the molecular weight of 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-?
The molecular weight of 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)- is 311.05 g/mol.
Where can I buy 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-?
You can request a quote for 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.