1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone
TL;DR: 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone (CAS 131134-90-2) is a chemical compound with molecular formula C10H8IN3O4S and molecular weight 392.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-iodophenyl)sulfonyl-1-methyl-4-nitroimidazole
Also Known As: Mniips, 5-(4-iodophenyl)sulfonyl-1-methyl-4-nitroimidazole, 1H-Imidazole, 5-((4-iodophenyl)sulfonyl)-1-methyl-4-nitro-, 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone, 1-methyl-4-nitro-5-imidazolyl-4-iodophenylsulfone
| Molecular Formula | C10H8IN3O4S |
|---|---|
| Molecular Weight | 392.93 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.928 |
| Heavy Atoms | 19 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 131134-90-2 |
|---|---|
| SMILES | CN1C=NC(=C1S(=O)(=O)C2=CC=C(C=C2)I)[N+](=O)[O-] |
| InChIKey | FPYKZSSYHWAAOB-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone (CAS 131134-90-2), with molecular formula C10H8IN3O4S and molecular weight 392.93 g/mol. IUPAC: 5-(4-iodophenyl)sulfonyl-1-methyl-4-nitroimidazole.
Chemical Property Profile of 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone
Property Insights of 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone. Following Lipinski's Rule of Five, 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone 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-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone?
The CAS number of 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone is 131134-90-2.
What is the molecular formula of 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone?
The molecular formula of 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone is C10H8IN3O4S.
What is the molecular weight of 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone?
The molecular weight of 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone is 392.93 g/mol.
Where can I buy 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone?
You can request a quote for 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.