Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-
TL;DR: Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- (CAS 77952-74-0) is a chemical compound with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetamide
Also Known As: ACETAMIDE, 2-((1-BENZYL-2-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)-, BAS 00288656, 2-((1-Benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetamide, 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetamide, AE-848/31943045
| Molecular Formula | C13H14N4O3S |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.07867 |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
| Solubility | >46 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 77952-74-0 |
|---|---|
| SMILES | CC1=NC(=C(N1CC2=CC=CC=C2)SCC(=O)N)[N+](=O)[O-] |
| InChIKey | LCKFZDKHJUUFKH-UHFFFAOYSA-N |
Product Overview
Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- (CAS 77952-74-0), with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol. IUPAC: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetamide.
Chemical Property Profile of Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-
Property Insights of Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-. Following Lipinski's Rule of Five, Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- has 1 hydrogen bond donor(s) and 5 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 Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The CAS number of Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- is 77952-74-0.
What is the molecular formula of Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The molecular formula of Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- is C13H14N4O3S.
What is the molecular weight of Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The molecular weight of Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- is 306.08 g/mol.
Where can I buy Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
You can request a quote for Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.