![ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate structure](/static/products/330/330819-49-3.png)
ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate
TL;DR: ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate (CAS 330819-49-3) is a chemical compound with molecular formula C15H17N3O4S and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetate
Also Known As: BAS 00288670, ethyl 2-((1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetate, ethyl 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetate, ethyl ({1-benzyl-4-nitro-2-methyl-1H-imidazol-5-yl}sulfanyl)acetate, ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate
| Molecular Formula | C15H17N3O4S |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 2.80322 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.09396 |
| Heavy Atoms | 23 |
| Complexity | 700.2476 |
Chemical Identifiers
| CAS Number | 330819-49-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(N=C(N1CC2=CC=CC=C2)C)[N+](=O)[O-] |
Product Overview
ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate (CAS 330819-49-3), with molecular formula C15H17N3O4S and molecular weight 335.09 g/mol. IUPAC: ethyl 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetate.
Chemical Property Profile of ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate
Property Insights of ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate
The XLogP value of 2.80322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 6 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 ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate?
The CAS number of ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate is 330819-49-3.
What is the molecular formula of ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate?
The molecular formula of ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate is C15H17N3O4S.
What is the molecular weight of ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate?
The molecular weight of ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate is 335.09 g/mol.
Where can I buy ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate?
You can request a quote for ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.