2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole
TL;DR: 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole (CAS 332388-91-7) 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-nitrophenyl)sulfonyl-2-propan-2-ylimidazole
Also Known As: BAS 01549890, 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole, 1-(3-nitrophenyl)sulfonyl-2-propan-2-ylimidazole, 1-(3-nitrobenzenesulfonyl)-2-(propan-2-yl)-1H-imidazole, 2-isopropyl-1-((3-nitrophenyl)sulfonyl)-1H-imidazole
| Molecular Formula | C12H13N3O4S |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 2.1517 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.06268 |
| Heavy Atoms | 20 |
| Complexity | 749.5679 |
Chemical Identifiers
| CAS Number | 332388-91-7 |
|---|---|
| SMILES | CC(C)C1=NC=CN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole (CAS 332388-91-7), with molecular formula C12H13N3O4S and molecular weight 295.06 g/mol. IUPAC: 1-(3-nitrophenyl)sulfonyl-2-propan-2-ylimidazole.
Chemical Property Profile of 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole
Property Insights of 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole
The XLogP value of 2.1517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole. Following Lipinski's Rule of Five, 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-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 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole?
The CAS number of 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole is 332388-91-7.
What is the molecular formula of 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole?
The molecular formula of 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole is C12H13N3O4S.
What is the molecular weight of 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole?
The molecular weight of 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole is 295.06 g/mol.
Where can I buy 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole?
You can request a quote for 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.