5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide
TL;DR: 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide (CAS 423149-77-3) is a chemical compound with molecular formula C12H13FN2O2 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-2,4,4-trimethyl-1,3-dioxidoimidazole-1,3-diium
Also Known As: 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide, 5-(4-fluorophenyl)-2,4,4-trimethyl-1,3-dioxidoimidazole-1,3-diium, 5-(4-FLUOROPHENYL)-2,4,4-TRIMETHYL-4H-IMIDAZOLE-1,3-DIIUM-1,3-BIS(OLATE)
| Molecular Formula | C12H13FN2O2 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 1.846 |
| Topological Polar Surface Area | 52.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.0961 |
| Heavy Atoms | 17 |
| Complexity | 529.9415 |
Chemical Identifiers
| CAS Number | 423149-77-3 |
|---|---|
| SMILES | CC1=[N+](C(C(=[N+]1[O-])C2=CC=C(C=C2)F)(C)C)[O-] |
Product Overview
5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide (CAS 423149-77-3), with molecular formula C12H13FN2O2 and molecular weight 236.10 g/mol. IUPAC: 5-(4-fluorophenyl)-2,4,4-trimethyl-1,3-dioxidoimidazole-1,3-diium.
Chemical Property Profile of 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide
Property Insights of 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide
The XLogP value of 1.846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide. With a topological polar surface area (TPSA) of 52.14 Ų, 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide 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 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide?
The CAS number of 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide is 423149-77-3.
What is the molecular formula of 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide?
The molecular formula of 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide is C12H13FN2O2.
What is the molecular weight of 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide?
The molecular weight of 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide is 236.10 g/mol.
Where can I buy 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide?
You can request a quote for 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-fluorophenyl)-2,4,4-trimethyl-4H-imidazole 1,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.