氟西汀
TL;DR: 氟西汀 (CAS 54910-89-3) is a chemical compound with molecular formula C17H18F3NO and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟西汀
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Also Known As: fluoxetine, Prozac, Fluoxetina, Pulvules, Fluval
| Molecular Formula | C17H18F3NO |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.13406 |
| Heavy Atoms | 22 |
| Complexity | 308.0 |
| Melting Point | 193 |
| Boiling Point | 395.1°C at 760 mmHg |
| Solubility | insoluble |
Chemical Identifiers
| CAS Number | 54910-89-3 |
|---|---|
| SMILES | CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F |
| InChIKey | RTHCYVBBDHJXIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟西汀 (CAS 54910-89-3), with molecular formula C17H18F3NO and molecular weight 309.13 g/mol. IUPAC: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
Chemical Property Profile of 氟西汀
Property Insights of 氟西汀
The XLogP value of 4.0 indicates that 氟西汀 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 氟西汀 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氟西汀 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 氟西汀?
The CAS number of 氟西汀 is 54910-89-3.
What is the molecular formula of 氟西汀?
The molecular formula of 氟西汀 is C17H18F3NO.
What is the molecular weight of 氟西汀?
The molecular weight of 氟西汀 is 309.13 g/mol.
Where can I buy 氟西汀?
You can request a quote for 氟西汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟西汀?
Yes, KEHONG BIO provides custom synthesis services for 氟西汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.