![1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole structure](/static/products/499/499985-49-8.png)
1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole
TL;DR: 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole (CAS 499985-49-8) is a chemical compound with molecular formula C12H13N3O4S and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)sulfonyl-2-methyl-4-nitroimidazole
Also Known As: BAS 00804383, 1-(3,4-dimethylphenyl)sulfonyl-2-methyl-4-nitroimidazole, 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole, 1-(3,4-Dimethyl-benzenesulfonyl)-2-methyl-4-nitro-1H-imidazole
| Molecular Formula | C12H13N3O4S |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.06268 |
| Heavy Atoms | 20 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 499985-49-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2C=C(N=C2C)[N+](=O)[O-])C |
| InChIKey | SNPBMXKAOCYLQG-UHFFFAOYSA-N |
Product Overview
1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole (CAS 499985-49-8), with molecular formula C12H13N3O4S and molecular weight 295.06 g/mol. IUPAC: 1-(3,4-dimethylphenyl)sulfonyl-2-methyl-4-nitroimidazole.
Chemical Property Profile of 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole
Property Insights of 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole. Following Lipinski's Rule of Five, 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-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 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole?
The CAS number of 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole is 499985-49-8.
What is the molecular formula of 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole?
The molecular formula of 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole is C12H13N3O4S.
What is the molecular weight of 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole?
The molecular weight of 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole is 295.06 g/mol.
Where can I buy 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole?
You can request a quote for 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-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-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3,4-dimethylphenyl)sulfonyl]-4-nitro-2-methyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.