(4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate
TL;DR: (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate (CAS 83498-82-2) is a chemical compound with molecular formula C11H11N3O6S and molecular weight 313.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate
Also Known As: (4-methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate, 4-Methoxyphenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate
| Molecular Formula | C11H11N3O6S |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.03687 |
| Heavy Atoms | 21 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 83498-82-2 |
|---|---|
| SMILES | CN1C=NC(=C1S(=O)(=O)OC2=CC=C(C=C2)OC)[N+](=O)[O-] |
| InChIKey | INQHWHJBZJOLTO-UHFFFAOYSA-N |
Product Overview
(4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate (CAS 83498-82-2), with molecular formula C11H11N3O6S and molecular weight 313.04 g/mol. IUPAC: (4-methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate.
Chemical Property Profile of (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate
Property Insights of (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate. Following Lipinski's Rule of Five, (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate has 0 hydrogen bond donor(s) and 7 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-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate?
The CAS number of (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate is 83498-82-2.
What is the molecular formula of (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate?
The molecular formula of (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate is C11H11N3O6S.
What is the molecular weight of (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate?
The molecular weight of (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate is 313.04 g/mol.
Where can I buy (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate?
You can request a quote for (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.