Imidazole, 4-phenyl-, hydrochloride
TL;DR: Imidazole, 4-phenyl-, hydrochloride (CAS 77826-00-7) is a chemical compound with molecular formula C9H9ClN2 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-1H-imidazole;hydrochloride
Also Known As: Verbindungen 413, Verbindungen 413 [German], 4-Phenylimidazole hydrochloride, Imidazole, 4-phenyl-, hydrochloride, 5-phenyl-1H-imidazole hydrochloride
| Molecular Formula | C9H9ClN2 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 2.4985 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.04543 |
| Heavy Atoms | 12 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 77826-00-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CN=CN2.Cl |
| InChIKey | VWHCTKZNHLSWHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Imidazole, 4-phenyl-, hydrochloride (CAS 77826-00-7), with molecular formula C9H9ClN2 and molecular weight 180.05 g/mol. IUPAC: 5-phenyl-1H-imidazole;hydrochloride.
Chemical Property Profile of Imidazole, 4-phenyl-, hydrochloride
Property Insights of Imidazole, 4-phenyl-, hydrochloride
The XLogP value of 2.4985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole, 4-phenyl-, hydrochloride. With a topological polar surface area (TPSA) of 28.7 Ų, Imidazole, 4-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Imidazole, 4-phenyl-, hydrochloride has 2 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 Imidazole, 4-phenyl-, hydrochloride?
The CAS number of Imidazole, 4-phenyl-, hydrochloride is 77826-00-7.
What is the molecular formula of Imidazole, 4-phenyl-, hydrochloride?
The molecular formula of Imidazole, 4-phenyl-, hydrochloride is C9H9ClN2.
What is the molecular weight of Imidazole, 4-phenyl-, hydrochloride?
The molecular weight of Imidazole, 4-phenyl-, hydrochloride is 180.05 g/mol.
Where can I buy Imidazole, 4-phenyl-, hydrochloride?
You can request a quote for Imidazole, 4-phenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole, 4-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Imidazole, 4-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.