4-Bromospiperone
TL;DR: 4-Bromospiperone (CAS 76139-30-5) is a chemical compound with molecular formula C23H25BrFN3O2 and molecular weight 473.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: 4-Bromospiperone, p-Bromospiperone, p-Bromospiroperidol, 4-Bromospiroperidol, 1-(4-bromophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one
| Molecular Formula | C23H25BrFN3O2 |
|---|---|
| Molecular Weight | 473.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.11142 |
| Heavy Atoms | 30 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 76139-30-5 |
|---|---|
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=C(C=C3)Br)CCCC(=O)C4=CC=C(C=C4)F |
| InChIKey | ALHZOZGEQMHCRV-UHFFFAOYSA-N |
Product Overview
4-Bromospiperone (CAS 76139-30-5), with molecular formula C23H25BrFN3O2 and molecular weight 473.11 g/mol. IUPAC: 1-(4-bromophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of 4-Bromospiperone
Property Insights of 4-Bromospiperone
The XLogP value of 3.7 indicates that 4-Bromospiperone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.7 Ų, 4-Bromospiperone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromospiperone has 1 hydrogen bond donor(s) and 5 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-Bromospiperone?
The CAS number of 4-Bromospiperone is 76139-30-5.
What is the molecular formula of 4-Bromospiperone?
The molecular formula of 4-Bromospiperone is C23H25BrFN3O2.
What is the molecular weight of 4-Bromospiperone?
The molecular weight of 4-Bromospiperone is 473.11 g/mol.
Where can I buy 4-Bromospiperone?
You can request a quote for 4-Bromospiperone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromospiperone?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromospiperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.