氟司必林
TL;DR: 氟司必林 (CAS 1841-19-6) is a chemical compound with molecular formula C29H31F2N3O and molecular weight 475.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟司必林
8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: Fluspirilene, Redeptin, Imap, Fluspirileno, Fluspirilenum
| Molecular Formula | C29H31F2N3O |
|---|---|
| Molecular Weight | 475.24 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.24353 |
| Heavy Atoms | 35 |
| Complexity | 653.0 |
| Melting Point | 187.5-190 |
| Solubility | 10 |
Chemical Identifiers
| CAS Number | 1841-19-6 |
|---|---|
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F |
| InChIKey | QOYHHIBFXOOADH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟司必林 (CAS 1841-19-6), with molecular formula C29H31F2N3O and molecular weight 475.24 g/mol. IUPAC: 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of 氟司必林
Property Insights of 氟司必林
The XLogP value of 5.6 indicates that 氟司必林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, 氟司必林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氟司必林 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氟司必林?
The CAS number of 氟司必林 is 1841-19-6.
What is the molecular formula of 氟司必林?
The molecular formula of 氟司必林 is C29H31F2N3O.
What is the molecular weight of 氟司必林?
The molecular weight of 氟司必林 is 475.24 g/mol.
Where can I buy 氟司必林?
You can request a quote for 氟司必林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟司必林?
Yes, KEHONG BIO provides custom synthesis services for 氟司必林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.