氟伏沙明
TL;DR: 氟伏沙明 (CAS 54739-18-3) is a chemical compound with molecular formula C15H21F3N2O2 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟伏沙明
2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Also Known As: fluvoxamine, (Z) Fluvoxamine, Fluvoxamina, fluvoxamine-CR, (Z)-Fluvoxamine
| Molecular Formula | C15H21F3N2O2 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.15552 |
| Heavy Atoms | 22 |
| Complexity | 327.0 |
| Melting Point | 120 - 122.5 °C |
| Solubility | 7.34e-03 g/L |
Chemical Identifiers
| CAS Number | 54739-18-3 |
|---|---|
| SMILES | COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F |
| InChIKey | CJOFXWAVKWHTFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟伏沙明 (CAS 54739-18-3), with molecular formula C15H21F3N2O2 and molecular weight 318.16 g/mol. IUPAC: 2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine.
Chemical Property Profile of 氟伏沙明
Property Insights of 氟伏沙明
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氟伏沙明. With a topological polar surface area (TPSA) of 56.8 Ų, 氟伏沙明 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氟伏沙明 has 1 hydrogen bond donor(s) and 7 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 氟伏沙明?
The CAS number of 氟伏沙明 is 54739-18-3.
What is the molecular formula of 氟伏沙明?
The molecular formula of 氟伏沙明 is C15H21F3N2O2.
What is the molecular weight of 氟伏沙明?
The molecular weight of 氟伏沙明 is 318.16 g/mol.
Where can I buy 氟伏沙明?
You can request a quote for 氟伏沙明 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟伏沙明?
Yes, KEHONG BIO provides custom synthesis services for 氟伏沙明 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.