N-(4-azido-3-iodophenethyl)spiperone
TL;DR: N-(4-azido-3-iodophenethyl)spiperone (CAS 95754-28-2) is a chemical compound with molecular formula C31H32FIN6O2 and molecular weight 664.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-azido-3-(125I)iodophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: I-N3-Naps, N-(4-Azido-3-iodophenethyl)spiperone, N-(4-Azido-3-iodophenethyl)spiroperidol, 1,3,8-Triazaspiro(4.5)decan-4-one, 3-(2-(4-azido-3-(iodo-125I)phenyl)ethyl)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-, (6R-(3(1S*,2R*),6alpha,7beta(R*)))-, 3-[2-(4-azido-3-(125I)iodanylphenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
| Molecular Formula | C31H32FIN6O2 |
|---|---|
| Molecular Weight | 664.16 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 664.1617 |
| Heavy Atoms | 41 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 95754-28-2 |
|---|---|
| SMILES | C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CCC4=CC(=C(C=C4)N=[N+]=[N-])[125I])CCCC(=O)C5=CC=C(C=C5)F |
| InChIKey | FGEADKYCRHPWJF-DSNWZYGKSA-N |
Product Overview
N-(4-azido-3-iodophenethyl)spiperone (CAS 95754-28-2), with molecular formula C31H32FIN6O2 and molecular weight 664.16 g/mol. IUPAC: 3-[2-(4-azido-3-(125I)iodophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of N-(4-azido-3-iodophenethyl)spiperone
Property Insights of N-(4-azido-3-iodophenethyl)spiperone
The XLogP value of 7.1 indicates that N-(4-azido-3-iodophenethyl)spiperone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, N-(4-azido-3-iodophenethyl)spiperone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-azido-3-iodophenethyl)spiperone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-azido-3-iodophenethyl)spiperone?
The CAS number of N-(4-azido-3-iodophenethyl)spiperone is 95754-28-2.
What is the molecular formula of N-(4-azido-3-iodophenethyl)spiperone?
The molecular formula of N-(4-azido-3-iodophenethyl)spiperone is C31H32FIN6O2.
What is the molecular weight of N-(4-azido-3-iodophenethyl)spiperone?
The molecular weight of N-(4-azido-3-iodophenethyl)spiperone is 664.16 g/mol.
Where can I buy N-(4-azido-3-iodophenethyl)spiperone?
You can request a quote for N-(4-azido-3-iodophenethyl)spiperone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-azido-3-iodophenethyl)spiperone?
Yes, KEHONG BIO provides custom synthesis services for N-(4-azido-3-iodophenethyl)spiperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.