3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one
TL;DR: 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one (CAS 782-55-8) is a chemical compound with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
Also Known As: 3-(1H-Benzoimidazol-2-yl)-1,1,1-trifluoro-propan-2-one, 3-(1H-benzimidazol-2-yl)-1,1,1-trifluoroacetone, 3-(1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-one, 3-(1H-Benzo[d]imidazol-2-yl)-1,1,1-trifluoropropan-2-one, 2-(3,3,3-trifluoroacetonyl)benzimidazole
| Molecular Formula | C10H7F3N2O |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.05104 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 782-55-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CC(=O)C(F)(F)F |
| InChIKey | HJYPHXMVQPUHIO-UHFFFAOYSA-N |
Product Overview
3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one (CAS 782-55-8), with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol. IUPAC: 3-(1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-one.
Chemical Property Profile of 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one
Property Insights of 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one. With a topological polar surface area (TPSA) of 45.8 Ų, 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one has 1 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 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one?
The CAS number of 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one is 782-55-8.
What is the molecular formula of 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one?
The molecular formula of 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one is C10H7F3N2O.
What is the molecular weight of 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one?
The molecular weight of 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one is 228.05 g/mol.
Where can I buy 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one?
You can request a quote for 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-1,3-benzodiazol-2-yl)-1,1,1-trifluoropropan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.