2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol
TL;DR: 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol (CAS 58099-76-6) is a chemical compound with molecular formula C11H11ClN2O2 and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-1-hydroxy-4,5-dimethyl-3-oxidoimidazol-3-ium
Also Known As: 2-(4-chlorophenyl)-4,5-dimethylimidazole-1,3-diol, 2-(4-chlorophenyl)-1-hydroxy-4,5-dimethyl-3-oxidoimidazol-3-ium, 2-(4-Chlorophenyl)-4,5-dimethyl-3-oxo-1H-3lambda~5~-imidazol-1-ol
| Molecular Formula | C11H11ClN2O2 |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.0509 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 58099-76-6 |
|---|---|
| SMILES | CC1=C([N+](=C(N1O)C2=CC=C(C=C2)Cl)[O-])C |
| InChIKey | DKNYDFDCSRZZPS-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol (CAS 58099-76-6), with molecular formula C11H11ClN2O2 and molecular weight 238.05 g/mol. IUPAC: 2-(4-chlorophenyl)-1-hydroxy-4,5-dimethyl-3-oxidoimidazol-3-ium.
Chemical Property Profile of 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol
Property Insights of 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol. With a topological polar surface area (TPSA) of 50.6 Ų, 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol has 1 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-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol?
The CAS number of 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol is 58099-76-6.
What is the molecular formula of 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol?
The molecular formula of 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol is C11H11ClN2O2.
What is the molecular weight of 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol?
The molecular weight of 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol is 238.05 g/mol.
Where can I buy 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol?
You can request a quote for 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-4,5-dimethylimidazole-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.