Acetic acid, 4-imidazol-1-yl-phenyl ester
TL;DR: Acetic acid, 4-imidazol-1-yl-phenyl ester (CAS 56643-89-1) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-imidazol-1-ylphenyl) acetate
Also Known As: (4-imidazol-1-ylphenyl) acetate, 4-(1H-Imidazol-1-yl)phenyl acetate, 1-(4-Acetoxyphenyl)-1H-imidazole, 4-(1H-Imidazol-1-yl)phenyl acetate #, Phenol, 4-(1H-imidazol-1-yl)-, 1-acetate
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 56643-89-1 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)N2C=CN=C2 |
| InChIKey | ICSHLWOBHVHPQT-UHFFFAOYSA-N |
Product Overview
Acetic acid, 4-imidazol-1-yl-phenyl ester (CAS 56643-89-1), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: (4-imidazol-1-ylphenyl) acetate.
Chemical Property Profile of Acetic acid, 4-imidazol-1-yl-phenyl ester
Property Insights of Acetic acid, 4-imidazol-1-yl-phenyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 4-imidazol-1-yl-phenyl ester. With a topological polar surface area (TPSA) of 44.1 Ų, Acetic acid, 4-imidazol-1-yl-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 4-imidazol-1-yl-phenyl ester has 0 hydrogen bond donor(s) and 3 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 Acetic acid, 4-imidazol-1-yl-phenyl ester?
The CAS number of Acetic acid, 4-imidazol-1-yl-phenyl ester is 56643-89-1.
What is the molecular formula of Acetic acid, 4-imidazol-1-yl-phenyl ester?
The molecular formula of Acetic acid, 4-imidazol-1-yl-phenyl ester is C11H10N2O2.
What is the molecular weight of Acetic acid, 4-imidazol-1-yl-phenyl ester?
The molecular weight of Acetic acid, 4-imidazol-1-yl-phenyl ester is 202.07 g/mol.
Where can I buy Acetic acid, 4-imidazol-1-yl-phenyl ester?
You can request a quote for Acetic acid, 4-imidazol-1-yl-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 4-imidazol-1-yl-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 4-imidazol-1-yl-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.