3-Tosyl-4-chloromethyl-5-methyl-imidazole
TL;DR: 3-Tosyl-4-chloromethyl-5-methyl-imidazole (CAS 188979-76-2) is a chemical compound with molecular formula C12H13ClN2O2S and molecular weight 284.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazole
Also Known As: 3-tosyl-4-chloromethyl-5-methyl-imidazole, 5-(chloromethyl)-4-methyl-1-(4-methylphenyl)sulfonyl-imidazole, 5-(chloromethyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazole, 1H-Imidazole, 5-(chloromethyl)-4-methyl-1-[(4-methylphenyl)sulfonyl]-, 5-(Chloromethyl)-4-methyl-1-(4-methylbenzene-1-sulfonyl)-1H-imidazole
| Molecular Formula | C12H13ClN2O2S |
|---|---|
| Molecular Weight | 284.04 g/mol |
| LogP | 2.47574 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.03864 |
| Heavy Atoms | 18 |
| Complexity | 659.8859 |
Chemical Identifiers
| CAS Number | 188979-76-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=NC(=C2CCl)C |
Product Overview
3-Tosyl-4-chloromethyl-5-methyl-imidazole (CAS 188979-76-2), with molecular formula C12H13ClN2O2S and molecular weight 284.04 g/mol. IUPAC: 5-(chloromethyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazole.
Chemical Property Profile of 3-Tosyl-4-chloromethyl-5-methyl-imidazole
Property Insights of 3-Tosyl-4-chloromethyl-5-methyl-imidazole
The XLogP value of 2.47574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tosyl-4-chloromethyl-5-methyl-imidazole. With a topological polar surface area (TPSA) of 51.96 Ų, 3-Tosyl-4-chloromethyl-5-methyl-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tosyl-4-chloromethyl-5-methyl-imidazole has 0 hydrogen bond donor(s) and 3 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 3-Tosyl-4-chloromethyl-5-methyl-imidazole?
The CAS number of 3-Tosyl-4-chloromethyl-5-methyl-imidazole is 188979-76-2.
What is the molecular formula of 3-Tosyl-4-chloromethyl-5-methyl-imidazole?
The molecular formula of 3-Tosyl-4-chloromethyl-5-methyl-imidazole is C12H13ClN2O2S.
What is the molecular weight of 3-Tosyl-4-chloromethyl-5-methyl-imidazole?
The molecular weight of 3-Tosyl-4-chloromethyl-5-methyl-imidazole is 284.04 g/mol.
Where can I buy 3-Tosyl-4-chloromethyl-5-methyl-imidazole?
You can request a quote for 3-Tosyl-4-chloromethyl-5-methyl-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tosyl-4-chloromethyl-5-methyl-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Tosyl-4-chloromethyl-5-methyl-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.