![5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium structure](/static/products/110/1106729-47-8.png)
5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium
TL;DR: 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium (CAS 1106729-47-8) is a chemical compound with molecular formula C12H15IN2O and molecular weight 330.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dimethylimidazol-1-ium-4-yl)-phenylmethanol iodide
Also Known As: (1,3-dimethylimidazol-1-ium-4-yl)-phenylmethanol iodide, 5-(Hydroxy-phenyl-methyl)-1,3-dimethyl-3H-imidazol-1-ium, 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium, 4-(hydroxy(phenyl)methyl)-1,3-dimethyl-1H-imidazol-3-ium iodide
| Molecular Formula | C12H15IN2O |
|---|---|
| Molecular Weight | 330.02 g/mol |
| LogP | -2.0647 |
| Topological Polar Surface Area | 29.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.02292 |
| Heavy Atoms | 16 |
| Complexity | 453.29724 |
Chemical Identifiers
| CAS Number | 1106729-47-8 |
|---|---|
| SMILES | CN1C=[N+](C=C1C(C2=CC=CC=C2)O)C.[I-] |
Product Overview
5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium (CAS 1106729-47-8), with molecular formula C12H15IN2O and molecular weight 330.02 g/mol. IUPAC: (1,3-dimethylimidazol-1-ium-4-yl)-phenylmethanol iodide.
Chemical Property Profile of 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium
Property Insights of 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium
The XLogP value of -2.0647 indicates that 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.04 Ų, 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium has 1 hydrogen bond donor(s) and 1 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-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium?
The CAS number of 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium is 1106729-47-8.
What is the molecular formula of 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium?
The molecular formula of 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium is C12H15IN2O.
What is the molecular weight of 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium?
The molecular weight of 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium is 330.02 g/mol.
Where can I buy 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium?
You can request a quote for 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.