Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate
TL;DR: Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate (CAS 85044-75-3) is a chemical compound with molecular formula C10H9N3O5S and molecular weight 283.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 1-methyl-5-nitroimidazole-4-sulfonate
Also Known As: phenyl 1-methyl-5-nitroimidazole-4-sulfonate, Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate
| Molecular Formula | C10H9N3O5S |
|---|---|
| Molecular Weight | 283.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0263 |
| Heavy Atoms | 19 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 85044-75-3 |
|---|---|
| SMILES | CN1C=NC(=C1[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2 |
| InChIKey | ZLEOWFPSDNEIPV-UHFFFAOYSA-N |
Product Overview
Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate (CAS 85044-75-3), with molecular formula C10H9N3O5S and molecular weight 283.03 g/mol. IUPAC: phenyl 1-methyl-5-nitroimidazole-4-sulfonate.
Chemical Property Profile of Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate
Property Insights of Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate. Following Lipinski's Rule of Five, Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate 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 Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate?
The CAS number of Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate is 85044-75-3.
What is the molecular formula of Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate?
The molecular formula of Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate is C10H9N3O5S.
What is the molecular weight of Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate?
The molecular weight of Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate is 283.03 g/mol.
Where can I buy Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate?
You can request a quote for Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 1-methyl-5-nitro-1H-imidazole-4-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.