Brombenperidol
TL;DR: Brombenperidol (CAS 91433-73-7) is a chemical compound with molecular formula C22H23BrFN3O2 and molecular weight 457.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(77Br)bromo-3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]benzimidazol-2-one
Also Known As: Brombenperidol, 75Br-Brombenperidol, 77Br-Brombenperidol, 1-(77Br)bromanyl-3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]benzimidazol-2-one, 1-bromanyl-3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]benzimidazol-2-one
| Molecular Formula | C22H23BrFN3O2 |
|---|---|
| Molecular Weight | 457.10 g/mol |
| LogP | 4.4001 |
| Topological Polar Surface Area | 47.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.09882 |
| Heavy Atoms | 29 |
| Complexity | 1065.8461 |
Chemical Identifiers
| CAS Number | 91433-73-7 |
|---|---|
| SMILES | C1CN(CCC1N2C3=CC=CC=C3N(C2=O)[77Br])CCCC(=O)C4=CC=C(C=C4)F |
Product Overview
Brombenperidol (CAS 91433-73-7), with molecular formula C22H23BrFN3O2 and molecular weight 457.10 g/mol. IUPAC: 1-(77Br)bromo-3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]benzimidazol-2-one.
Chemical Property Profile of Brombenperidol
Property Insights of Brombenperidol
The XLogP value of 4.4001 indicates that Brombenperidol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.24 Ų, Brombenperidol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brombenperidol has 0 hydrogen bond donor(s) and 3 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 Brombenperidol?
The CAS number of Brombenperidol is 91433-73-7.
What is the molecular formula of Brombenperidol?
The molecular formula of Brombenperidol is C22H23BrFN3O2.
What is the molecular weight of Brombenperidol?
The molecular weight of Brombenperidol is 457.10 g/mol.
Where can I buy Brombenperidol?
You can request a quote for Brombenperidol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brombenperidol?
Yes, KEHONG BIO provides custom synthesis services for Brombenperidol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.