4-Aminospiroperidol
TL;DR: 4-Aminospiroperidol (CAS 114444-10-9) is a chemical compound with molecular formula C23H27FN4O2 and molecular weight 410.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-aminophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: 4-Aminospiroperidol, ASPD, 1-(4-aminophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one, 1-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone, 2-(3-chlorophenyl)-3-oxo-3-pyridin-3-ylpropanenitrile
| Molecular Formula | C23H27FN4O2 |
|---|---|
| Molecular Weight | 410.21 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.2118 |
| Heavy Atoms | 30 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 114444-10-9 |
|---|---|
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=C(C=C3)N)CCCC(=O)C4=CC=C(C=C4)F |
| InChIKey | MJEREOGWNZGKRN-UHFFFAOYSA-N |
Product Overview
4-Aminospiroperidol (CAS 114444-10-9), with molecular formula C23H27FN4O2 and molecular weight 410.21 g/mol. IUPAC: 1-(4-aminophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of 4-Aminospiroperidol
Property Insights of 4-Aminospiroperidol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Aminospiroperidol. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Aminospiroperidol. Following Lipinski's Rule of Five, 4-Aminospiroperidol has 2 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 4-Aminospiroperidol?
The CAS number of 4-Aminospiroperidol is 114444-10-9.
What is the molecular formula of 4-Aminospiroperidol?
The molecular formula of 4-Aminospiroperidol is C23H27FN4O2.
What is the molecular weight of 4-Aminospiroperidol?
The molecular weight of 4-Aminospiroperidol is 410.21 g/mol.
Where can I buy 4-Aminospiroperidol?
You can request a quote for 4-Aminospiroperidol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminospiroperidol?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminospiroperidol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.