![4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate structure](/static/products/6729/672950-98-0.webp)
4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate
TL;DR: 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate (CAS 672950-98-0) is a chemical compound with molecular formula C17H10F3N3O2 and molecular weight 345.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
Also Known As: Bionet2_000610, 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate, (4-cyanophenyl) 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate, 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate, 5R-1543
| Molecular Formula | C17H10F3N3O2 |
|---|---|
| Molecular Weight | 345.07 g/mol |
| LogP | 3.53238 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.0725 |
| Heavy Atoms | 25 |
| Complexity | 969.45215 |
Chemical Identifiers
| CAS Number | 672950-98-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2CC(=O)OC3=CC=C(C=C3)C#N)C(F)(F)F |
Product Overview
4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate (CAS 672950-98-0), with molecular formula C17H10F3N3O2 and molecular weight 345.07 g/mol. IUPAC: (4-cyanophenyl) 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.
Chemical Property Profile of 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate
Property Insights of 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate
The XLogP value of 3.53238 indicates that 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate. Following Lipinski's Rule of Five, 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate has 0 hydrogen bond donor(s) and 4 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 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate?
The CAS number of 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate is 672950-98-0.
What is the molecular formula of 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate?
The molecular formula of 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate is C17H10F3N3O2.
What is the molecular weight of 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate?
The molecular weight of 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate is 345.07 g/mol.
Where can I buy 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate?
You can request a quote for 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.