3-N-(2-Fluoroethyl)spiperone
TL;DR: 3-N-(2-Fluoroethyl)spiperone (CAS 107340-59-0) is a chemical compound with molecular formula C25H29F2N3O2 and molecular weight 441.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluoroethyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: FESP, 3-N-(2-Fluoroethyl)spiperone, 3-(2'-Fluoroethyl)spiperone, Fesp F-18, FLUOROETHYL SPIPERONE
| Molecular Formula | C25H29F2N3O2 |
|---|---|
| Molecular Weight | 441.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.22278 |
| Heavy Atoms | 32 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 107340-59-0 |
|---|---|
| SMILES | C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CCF)CCCC(=O)C4=CC=C(C=C4)F |
| InChIKey | MNARAEXGMVEFDO-UHFFFAOYSA-N |
Product Overview
3-N-(2-Fluoroethyl)spiperone (CAS 107340-59-0), with molecular formula C25H29F2N3O2 and molecular weight 441.22 g/mol. IUPAC: 3-(2-fluoroethyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of 3-N-(2-Fluoroethyl)spiperone
Property Insights of 3-N-(2-Fluoroethyl)spiperone
The XLogP value of 3.6 indicates that 3-N-(2-Fluoroethyl)spiperone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.9 Ų, 3-N-(2-Fluoroethyl)spiperone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-N-(2-Fluoroethyl)spiperone has 0 hydrogen bond donor(s) and 6 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 3-N-(2-Fluoroethyl)spiperone?
The CAS number of 3-N-(2-Fluoroethyl)spiperone is 107340-59-0.
What is the molecular formula of 3-N-(2-Fluoroethyl)spiperone?
The molecular formula of 3-N-(2-Fluoroethyl)spiperone is C25H29F2N3O2.
What is the molecular weight of 3-N-(2-Fluoroethyl)spiperone?
The molecular weight of 3-N-(2-Fluoroethyl)spiperone is 441.22 g/mol.
Where can I buy 3-N-(2-Fluoroethyl)spiperone?
You can request a quote for 3-N-(2-Fluoroethyl)spiperone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-N-(2-Fluoroethyl)spiperone?
Yes, KEHONG BIO provides custom synthesis services for 3-N-(2-Fluoroethyl)spiperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.