(2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate
TL;DR: (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate (CAS 83498-83-3) 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.
(2-methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate
Also Known As: (2-methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate, 5-(2-methoxyphenoxy)sulfonyl-1-methyl-4-nitro-imidazole, 2-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 | 473.0 |
Chemical Identifiers
| CAS Number | 83498-83-3 |
|---|---|
| SMILES | CN1C=NC(=C1S(=O)(=O)OC2=CC=CC=C2OC)[N+](=O)[O-] |
| InChIKey | JHHKHAMWZAADJA-UHFFFAOYSA-N |
Product Overview
(2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate (CAS 83498-83-3), with molecular formula C11H11N3O6S and molecular weight 313.04 g/mol. IUPAC: (2-methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate.
Chemical Property Profile of (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate
Property Insights of (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate. Following Lipinski's Rule of Five, (2-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 (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate?
The CAS number of (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate is 83498-83-3.
What is the molecular formula of (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate?
The molecular formula of (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate is C11H11N3O6S.
What is the molecular weight of (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate?
The molecular weight of (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate is 313.04 g/mol.
Where can I buy (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate?
You can request a quote for (2-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 (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2-Methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.