1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester)
TL;DR: 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester) (CAS 62144-02-9) is a chemical compound with molecular formula C13H15N3O5S and molecular weight 325.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-2-nitroimidazol-1-yl)ethyl 4-methylbenzenesulfonate
Also Known As: 5-23-05-00098 (Beilstein Handbook Reference), 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester), 5-Methyl-2-nitro-1-(2-p-toluenesulfonyloxyethyl)-1H-imidazole, 5-Methyl-2-nitro-1H-imidazole-1-ethanol 4-methylbenzenesulfonate (ester), 2-(5-methyl-2-nitroimidazol-1-yl)ethyl 4-methylbenzenesulfonate
| Molecular Formula | C13H15N3O5S |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 1.81364 |
| Topological Polar Surface Area | 104.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.07324 |
| Heavy Atoms | 22 |
| Complexity | 780.50696 |
Chemical Identifiers
| CAS Number | 62144-02-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=CN=C2[N+](=O)[O-])C |
Product Overview
1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester) (CAS 62144-02-9), with molecular formula C13H15N3O5S and molecular weight 325.07 g/mol. IUPAC: 2-(5-methyl-2-nitroimidazol-1-yl)ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester)
Property Insights of 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester)
The XLogP value of 1.81364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester). The TPSA of 104.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester). Following Lipinski's Rule of Five, 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester) 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 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester)?
The CAS number of 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester) is 62144-02-9.
What is the molecular formula of 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester)?
The molecular formula of 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester) is C13H15N3O5S.
What is the molecular weight of 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester)?
The molecular weight of 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester) is 325.07 g/mol.
Where can I buy 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester)?
You can request a quote for 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-, 4-methylbenzenesulfonate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.