1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one
TL;DR: 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one (CAS 398-50-5) is a chemical compound with molecular formula C12H8F3NO and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one
Also Known As: 1,1,1-trifluoro-3-(quinolin-2-yl)propan-2-one, 1,1,1-Trifluoro-3-quinolin-2-yl-propan-2-one, BAS 01601307, 1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one, 1,1,1-trifluoro-3-(2-quinolyl)acetone
| Molecular Formula | C12H8F3NO |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 2.9087 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0558 |
| Heavy Atoms | 17 |
| Complexity | 562.92444 |
Chemical Identifiers
| CAS Number | 398-50-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)CC(=O)C(F)(F)F |
Product Overview
1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one (CAS 398-50-5), with molecular formula C12H8F3NO and molecular weight 239.06 g/mol. IUPAC: 1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one.
Chemical Property Profile of 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one
Property Insights of 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one
The XLogP value of 2.9087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one. With a topological polar surface area (TPSA) of 29.96 Ų, 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one has 0 hydrogen bond donor(s) and 2 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 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one?
The CAS number of 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one is 398-50-5.
What is the molecular formula of 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one?
The molecular formula of 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one is C12H8F3NO.
What is the molecular weight of 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one?
The molecular weight of 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one is 239.06 g/mol.
Where can I buy 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one?
You can request a quote for 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-3-(quinolin-2-yl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.