2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole
TL;DR: 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole (CAS 10449-82-8) is a chemical compound with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
Also Known As: 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole, 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole, 2-methyl-1-[(4-methylphenyl)sulfonyl]-2-imidazoline, 2-METHYL-1-(4-METHYLBENZENESULFONYL)-4,5-DIHYDRO-1H-IMIDAZOLE
| Molecular Formula | C11H14N2O2S |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.0776 |
| Heavy Atoms | 16 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 10449-82-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2C |
| InChIKey | SCIAGIYCUQOFSH-UHFFFAOYSA-N |
Product Overview
2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole (CAS 10449-82-8), with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol. IUPAC: 2-methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole.
Chemical Property Profile of 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole
Property Insights of 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole. With a topological polar surface area (TPSA) of 58.1 Ų, 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-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 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole?
The CAS number of 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole is 10449-82-8.
What is the molecular formula of 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole?
The molecular formula of 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole is C11H14N2O2S.
What is the molecular weight of 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole?
The molecular weight of 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole is 238.08 g/mol.
Where can I buy 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole?
You can request a quote for 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.