Zimidoben
TL;DR: Zimidoben (CAS 90697-56-6) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-imidazol-1-ylethyl benzoate
Also Known As: Zimidoben, Zimidobenum, Zimidoben [INN], 2-Imidazol-1-ylethyl benzoate, Imidazole-1-ethanol benzoate
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.7401 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 437.30704 |
Chemical Identifiers
| CAS Number | 90697-56-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCN2C=CN=C2 |
Product Overview
Zimidoben (CAS 90697-56-6), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2-imidazol-1-ylethyl benzoate.
Chemical Property Profile of Zimidoben
Property Insights of Zimidoben
The XLogP value of 1.7401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zimidoben. With a topological polar surface area (TPSA) of 44.12 Ų, Zimidoben exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zimidoben 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 Zimidoben?
The CAS number of Zimidoben is 90697-56-6.
What is the molecular formula of Zimidoben?
The molecular formula of Zimidoben is C12H12N2O2.
What is the molecular weight of Zimidoben?
The molecular weight of Zimidoben is 216.09 g/mol.
Where can I buy Zimidoben?
You can request a quote for Zimidoben directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zimidoben?
Yes, KEHONG BIO provides custom synthesis services for Zimidoben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.