2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺
TL;DR: 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺 (CAS 89426-89-1) is a chemical compound with molecular formula C9H6F3N3O and molecular weight 229.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺
2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
Also Known As: 2-(Trifluoromethyl)benzimidazole-5-carboxamide, BENZIMIDAZOLE-5-CARBOXAMIDE, 2-(TRIFLUOROMETHYL)-, 2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide, 2-(trifluoromethyl)-1H-benzimidazole-6-carboxamide, 2-(Trifluoromethyl)-1H-1,3-benzimidazole-6-carboxamide
| Molecular Formula | C9H6F3N3O |
|---|---|
| Molecular Weight | 229.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.0463 |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 89426-89-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)N)NC(=N2)C(F)(F)F |
| InChIKey | MKJCYFAERKFQLL-UHFFFAOYSA-N |
Product Overview
2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺 (CAS 89426-89-1), with molecular formula C9H6F3N3O and molecular weight 229.05 g/mol. IUPAC: 2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide.
Chemical Property Profile of 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺
Property Insights of 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺. Following Lipinski's Rule of Five, 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺 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 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺?
The CAS number of 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺 is 89426-89-1.
What is the molecular formula of 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺?
The molecular formula of 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺 is C9H6F3N3O.
What is the molecular weight of 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺?
The molecular weight of 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺 is 229.05 g/mol.
Where can I buy 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺?
You can request a quote for 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 2-(三氟甲基)-1H-苯并咪唑-6-甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.