2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione
TL;DR: 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione (CAS 478050-30-5) is a chemical compound with molecular formula C8H3F3N2O2 and molecular weight 216.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)-1H-benzimidazole-4,7-dione
Also Known As: 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione, 2-(trifluoromethyl)-1H-benzimidazole-4,7-dione, 2-(trifluoromethyl)-4,7-dihydro-1H-1,3-benzodiazole-4,7-dione, 2-(trifluoromethyl)-1H-benzoimidazole-4,7-dione, 2-(trifluoromethyl)-1H-1,3-benzodiazole-4,7-dione
| Molecular Formula | C8H3F3N2O2 |
|---|---|
| Molecular Weight | 216.01 g/mol |
| LogP | 1.3637 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.01466 |
| Heavy Atoms | 15 |
| Complexity | 449.0665 |
Chemical Identifiers
| CAS Number | 478050-30-5 |
|---|---|
| SMILES | C1=CC(=O)C2=C(C1=O)NC(=N2)C(F)(F)F |
Product Overview
2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione (CAS 478050-30-5), with molecular formula C8H3F3N2O2 and molecular weight 216.01 g/mol. IUPAC: 2-(trifluoromethyl)-1H-benzimidazole-4,7-dione.
Chemical Property Profile of 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione
Property Insights of 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione
The XLogP value of 1.3637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione. Following Lipinski's Rule of Five, 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione has 1 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 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione?
The CAS number of 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione is 478050-30-5.
What is the molecular formula of 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione?
The molecular formula of 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione is C8H3F3N2O2.
What is the molecular weight of 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione?
The molecular weight of 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione is 216.01 g/mol.
Where can I buy 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione?
You can request a quote for 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(trifluoromethyl)-1H-1,3-benzimidazole-4,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.