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1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate
TL;DR: 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate (CAS 477886-94-5) is a chemical compound with molecular formula C10H9FN2O2 and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-fluorophenyl)methoxy]-3-oxidoimidazol-3-ium
Also Known As: 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate, 1-[(3-fluorophenyl)methoxy]-3-oxidoimidazol-3-ium, 2P-071, 1-[(3-fluorophenyl)methoxy]-1H-imidazol-3-ium-3-olate
| Molecular Formula | C10H9FN2O2 |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 0.8894 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.0648 |
| Heavy Atoms | 15 |
| Complexity | 456.18796 |
Chemical Identifiers
| CAS Number | 477886-94-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CON2C=C[N+](=C2)[O-] |
Product Overview
1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate (CAS 477886-94-5), with molecular formula C10H9FN2O2 and molecular weight 208.06 g/mol. IUPAC: 1-[(3-fluorophenyl)methoxy]-3-oxidoimidazol-3-ium.
Chemical Property Profile of 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate
Property Insights of 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate
The XLogP value of 0.8894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate. With a topological polar surface area (TPSA) of 41.1 Ų, 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate has 0 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 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate?
The CAS number of 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate is 477886-94-5.
What is the molecular formula of 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate?
The molecular formula of 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate is C10H9FN2O2.
What is the molecular weight of 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate?
The molecular weight of 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate is 208.06 g/mol.
Where can I buy 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate?
You can request a quote for 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-fluorobenzyl)oxy]-1H-imidazol-3-ium-3-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.