Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro-
TL;DR: Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro- (CAS 80007-99-4) 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.
N-(1H-benzimidazol-2-yl)-2,2,2-trifluoroacetamide
Also Known As: Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro-, N-1H-Benzimidazol-2-yl-2,2,2-trifluoroacetamide, n-(1h-benzimidazol-2-yl)-2,2,2-trifluoroacetamide, N-(1H-1,3-Benzimidazol-2-yl)-2,2,2-trifluoroacetamide, BRN 3614730
| Molecular Formula | C9H6F3N3O |
|---|---|
| Molecular Weight | 229.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.0463 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 80007-99-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)NC(=O)C(F)(F)F |
| InChIKey | DEBMOHFVGJVHLV-UHFFFAOYSA-N |
Product Overview
Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro- (CAS 80007-99-4), with molecular formula C9H6F3N3O and molecular weight 229.05 g/mol. IUPAC: N-(1H-benzimidazol-2-yl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro-
Property Insights of Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro-. With a topological polar surface area (TPSA) of 57.8 Ų, Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro- 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 Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro-?
The CAS number of Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro- is 80007-99-4.
What is the molecular formula of Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro-?
The molecular formula of Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro- is C9H6F3N3O.
What is the molecular weight of Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro-?
The molecular weight of Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro- is 229.05 g/mol.
Where can I buy Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro-?
You can request a quote for Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.