1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate)
TL;DR: 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate) (CAS 30575-42-9) 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-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-methylbenzenesulfonate
Also Known As: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-methylbenzene-1-sulfonate, 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate), 2-(2-methyl-5-nitroimidazolyl)ethyl 4-methylbenzenesulfonate, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-methylbenzenesulfonate, 2-methyl-1-[2-(4-methylphenyl)sulfonyloxyethyl]-5-nitro-imidazole
| 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 | 30575-42-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=NC=C2[N+](=O)[O-])C |
Product Overview
1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate) (CAS 30575-42-9), with molecular formula C13H15N3O5S and molecular weight 325.07 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate)
Property Insights of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate)
The XLogP value of 1.81364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate). The TPSA of 104.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate) 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, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate)?
The CAS number of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate) is 30575-42-9.
What is the molecular formula of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate)?
The molecular formula of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate) is C13H15N3O5S.
What is the molecular weight of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate)?
The molecular weight of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate) is 325.07 g/mol.
Where can I buy 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate)?
You can request a quote for 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate) 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, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.