2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium
TL;DR: 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium (CAS 420827-47-0) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium
Also Known As: BIM-0005098.P001, 2,4,4-trimethyl-5-(p-tolyl)-4H-imidazole 1,3-dioxide, 2,4,4-trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium, 2,4,4-trimethyl-5-(4-methylphenyl)-4H-imidazole 1,3-dioxide, 2,4,4-TRIMETHYL-5-(4-METHYLPHENYL)-4H-IMIDAZOLE-1,3-DIIUM-1,3-BIS(OLATE)
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 2.01532 |
| Topological Polar Surface Area | 52.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 524.85535 |
Chemical Identifiers
| CAS Number | 420827-47-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=[N+](C(=[N+](C2(C)C)[O-])C)[O-] |
Product Overview
2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium (CAS 420827-47-0), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 2,4,4-trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium.
Chemical Property Profile of 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium
Property Insights of 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium
The XLogP value of 2.01532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium. With a topological polar surface area (TPSA) of 52.14 Ų, 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium has 0 hydrogen bond donor(s) and 2 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 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium?
The CAS number of 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium is 420827-47-0.
What is the molecular formula of 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium?
The molecular formula of 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium is C13H16N2O2.
What is the molecular weight of 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium?
The molecular weight of 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium is 232.12 g/mol.
Where can I buy 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium?
You can request a quote for 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-Trimethyl-5-(4-methylphenyl)-1,3-dioxidoimidazole-1,3-diium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.