1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1)
TL;DR: 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1) (CAS 34707-70-5) is a chemical compound with molecular formula C20H17FN2O6 and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluorobenzoate;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-BENZIMIDAZOLEETHANOL, p-FLUOROBENZOATE (ester), MALEATE (1:1), Benzoic acid, p-fluoro-, 2-(1-benzimidazolyl)ethyl ester, maleate, 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluorobenzoate; (Z)-4-hydroxy-4-oxobut-2-enoate, 3-{2-[(4-Fluorobenzoyl)oxy]ethyl}-1H-benzimidazol-3-ium (2Z)-3-carboxyacrylate, RefChem:1054907
| Molecular Formula | C20H17FN2O6 |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 0.8286 |
| Topological Polar Surface Area | 123.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.10706 |
| Heavy Atoms | 29 |
| Complexity | 1010.88727 |
Chemical Identifiers
| CAS Number | 34707-70-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC=[N+]2CCOC(=O)C3=CC=C(C=C3)F.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1) (CAS 34707-70-5), with molecular formula C20H17FN2O6 and molecular weight 400.11 g/mol. IUPAC: 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluorobenzoate;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1)
Property Insights of 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1)
The XLogP value of 0.8286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1). The TPSA of 123.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1). Following Lipinski's Rule of Five, 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1) has 2 hydrogen bond donor(s) and 5 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-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1)?
The CAS number of 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1) is 34707-70-5.
What is the molecular formula of 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1)?
The molecular formula of 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1) is C20H17FN2O6.
What is the molecular weight of 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1)?
The molecular weight of 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1) is 400.11 g/mol.
Where can I buy 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1)?
You can request a quote for 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzimidazoleethanol, p-fluorobenzoate (ester), maleate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.