![ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate structure](/static/products/827/82791-95-5.png)
ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate
TL;DR: ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate (CAS 82791-95-5) is a chemical compound with molecular formula C12H11F3N2O2 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
Also Known As: ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate, BAS 02973870, BIM-0042743.P001, ethyl [2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetate, ethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
| Molecular Formula | C12H11F3N2O2 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.07727 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 82791-95-5 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F |
| InChIKey | XIQPNNJEFPYLNF-UHFFFAOYSA-N |
Product Overview
ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate (CAS 82791-95-5), with molecular formula C12H11F3N2O2 and molecular weight 272.08 g/mol. IUPAC: ethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.
Chemical Property Profile of ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate
Property Insights of ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate. With a topological polar surface area (TPSA) of 44.1 Ų, ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate has 0 hydrogen bond donor(s) and 6 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 ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate?
The CAS number of ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate is 82791-95-5.
What is the molecular formula of ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate?
The molecular formula of ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate is C12H11F3N2O2.
What is the molecular weight of ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate?
The molecular weight of ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate is 272.08 g/mol.
Where can I buy ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate?
You can request a quote for ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-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 ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.