N-(iodoallyl)spiperone
TL;DR: N-(iodoallyl)spiperone (CAS 124654-22-4) is a chemical compound with molecular formula C26H29FIN3O2 and molecular weight 561.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(4-fluorophenyl)-4-oxobutyl]-3-[(E)-3-iodoprop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: NIASP, N-(Iodoallyl)spiperone, (Z)-N-(Iodoallyl)spiperone, (E)-N-(Iodoallyl)spiperone, 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-[(E)-3-iodoprop-2-enyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
| Molecular Formula | C26H29FIN3O2 |
|---|---|
| Molecular Weight | 561.13 g/mol |
| LogP | 4.8782 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 561.12885 |
| Heavy Atoms | 33 |
| Complexity | 988.3564 |
Chemical Identifiers
| CAS Number | 124654-22-4 |
|---|---|
| SMILES | C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)C/C=C/I)CCCC(=O)C4=CC=C(C=C4)F |
Product Overview
N-(iodoallyl)spiperone (CAS 124654-22-4), with molecular formula C26H29FIN3O2 and molecular weight 561.13 g/mol. IUPAC: 8-[4-(4-fluorophenyl)-4-oxobutyl]-3-[(E)-3-iodoprop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of N-(iodoallyl)spiperone
Property Insights of N-(iodoallyl)spiperone
The XLogP value of 4.8782 indicates that N-(iodoallyl)spiperone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, N-(iodoallyl)spiperone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(iodoallyl)spiperone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(iodoallyl)spiperone?
The CAS number of N-(iodoallyl)spiperone is 124654-22-4.
What is the molecular formula of N-(iodoallyl)spiperone?
The molecular formula of N-(iodoallyl)spiperone is C26H29FIN3O2.
What is the molecular weight of N-(iodoallyl)spiperone?
The molecular weight of N-(iodoallyl)spiperone is 561.13 g/mol.
Where can I buy N-(iodoallyl)spiperone?
You can request a quote for N-(iodoallyl)spiperone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(iodoallyl)spiperone?
Yes, KEHONG BIO provides custom synthesis services for N-(iodoallyl)spiperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.