4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole
TL;DR: 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole (CAS 5234-35-5) is a chemical compound with molecular formula C10H9N3O4S and molecular weight 267.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-1-methyl-5-nitroimidazole
Also Known As: 4-(benzenesulfonyl)-1-methyl-5-nitroimidazole, 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole
| Molecular Formula | C10H9N3O4S |
|---|---|
| Molecular Weight | 267.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.03137 |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 5234-35-5 |
|---|---|
| SMILES | CN1C=NC(=C1[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | SQSVABDEGMJDOC-UHFFFAOYSA-N |
Product Overview
4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole (CAS 5234-35-5), with molecular formula C10H9N3O4S and molecular weight 267.03 g/mol. IUPAC: 4-(benzenesulfonyl)-1-methyl-5-nitroimidazole.
Chemical Property Profile of 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole
Property Insights of 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole. Following Lipinski's Rule of Five, 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole has 0 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 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole?
The CAS number of 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole is 5234-35-5.
What is the molecular formula of 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole?
The molecular formula of 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole is C10H9N3O4S.
What is the molecular weight of 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole?
The molecular weight of 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole is 267.03 g/mol.
Where can I buy 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole?
You can request a quote for 4-(Benzenesulfonyl)-1-methyl-5-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 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzenesulfonyl)-1-methyl-5-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.