5-Methoxy-4'-(trifluoromethyl)valerophenone
TL;DR: 5-Methoxy-4'-(trifluoromethyl)valerophenone (CAS 61718-80-7) is a chemical compound with molecular formula C13H15F3O2 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
Also Known As: Fluvoxketone, Fluvoxamine (ketone), 5-METHOXY-1-[4-(TRIFLUOROMETHYL)PHENYL]-1-PENTANONE, 5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one, Fluvoxamine Impurity D
| Molecular Formula | C13H15F3O2 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 260.10242 |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 61718-80-7 |
|---|---|
| SMILES | COCCCCC(=O)C1=CC=C(C=C1)C(F)(F)F |
| InChIKey | VYKSRLDHXQURKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxy-4'-(trifluoromethyl)valerophenone (CAS 61718-80-7), with molecular formula C13H15F3O2 and molecular weight 260.10 g/mol. IUPAC: 5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one.
Chemical Property Profile of 5-Methoxy-4'-(trifluoromethyl)valerophenone
Property Insights of 5-Methoxy-4'-(trifluoromethyl)valerophenone
The XLogP value of 3.0 indicates that 5-Methoxy-4'-(trifluoromethyl)valerophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Methoxy-4'-(trifluoromethyl)valerophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxy-4'-(trifluoromethyl)valerophenone has 0 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 5-Methoxy-4'-(trifluoromethyl)valerophenone?
The CAS number of 5-Methoxy-4'-(trifluoromethyl)valerophenone is 61718-80-7.
What is the molecular formula of 5-Methoxy-4'-(trifluoromethyl)valerophenone?
The molecular formula of 5-Methoxy-4'-(trifluoromethyl)valerophenone is C13H15F3O2.
What is the molecular weight of 5-Methoxy-4'-(trifluoromethyl)valerophenone?
The molecular weight of 5-Methoxy-4'-(trifluoromethyl)valerophenone is 260.10 g/mol.
Where can I buy 5-Methoxy-4'-(trifluoromethyl)valerophenone?
You can request a quote for 5-Methoxy-4'-(trifluoromethyl)valerophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-4'-(trifluoromethyl)valerophenone?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-4'-(trifluoromethyl)valerophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.