N-(4-Aminophenethyl)spiroperidol
TL;DR: N-(4-Aminophenethyl)spiroperidol (CAS 99520-57-7) is a chemical compound with molecular formula C31H35FN4O2 and molecular weight 514.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: N-(p-Aminophenethyl)spiperone, NAPES, NAPS, N- spiperone, N-(4-Aminophenethyl)spiroperidol
| Molecular Formula | C31H35FN4O2 |
|---|---|
| Molecular Weight | 514.27 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 514.2744 |
| Heavy Atoms | 38 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 99520-57-7 |
|---|---|
| SMILES | C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CCC4=CC=C(C=C4)N)CCCC(=O)C5=CC=C(C=C5)F |
| InChIKey | OFOJSVPHSJPGKK-UHFFFAOYSA-N |
Product Overview
N-(4-Aminophenethyl)spiroperidol (CAS 99520-57-7), with molecular formula C31H35FN4O2 and molecular weight 514.27 g/mol. IUPAC: 3-[2-(4-aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of N-(4-Aminophenethyl)spiroperidol
Property Insights of N-(4-Aminophenethyl)spiroperidol
The XLogP value of 4.9 indicates that N-(4-Aminophenethyl)spiroperidol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Aminophenethyl)spiroperidol. Following Lipinski's Rule of Five, N-(4-Aminophenethyl)spiroperidol has 1 hydrogen bond donor(s) and 6 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-Aminophenethyl)spiroperidol?
The CAS number of N-(4-Aminophenethyl)spiroperidol is 99520-57-7.
What is the molecular formula of N-(4-Aminophenethyl)spiroperidol?
The molecular formula of N-(4-Aminophenethyl)spiroperidol is C31H35FN4O2.
What is the molecular weight of N-(4-Aminophenethyl)spiroperidol?
The molecular weight of N-(4-Aminophenethyl)spiroperidol is 514.27 g/mol.
Where can I buy N-(4-Aminophenethyl)spiroperidol?
You can request a quote for N-(4-Aminophenethyl)spiroperidol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Aminophenethyl)spiroperidol?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Aminophenethyl)spiroperidol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.