Belaperidone fumarate
TL;DR: Belaperidone fumarate (CAS 345226-68-8) is a chemical compound with molecular formula C26H26FN3O6 and molecular weight 495.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[2-[(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-1H-quinazoline-2,4-dione
Also Known As: Belaperidone fumarate, LU-111995 fumarate, 2,4(1H,3H)-Quinazolinedione, 3-(2-((1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo(3.2.0)hept-3-yl)ethyl)-, (2E)-2-butenedioate (1:1)
| Molecular Formula | C26H26FN3O6 |
|---|---|
| Molecular Weight | 495.18 g/mol |
| LogP | 2.2762 |
| Topological Polar Surface Area | 132.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.18057 |
| Heavy Atoms | 36 |
| Complexity | 1395.687 |
Chemical Identifiers
| CAS Number | 345226-68-8 |
|---|---|
| SMILES | C1[C@@H]2CN(C[C@@H]2[C@H]1C3=CC=C(C=C3)F)CCN4C(=O)C5=CC=CC=C5NC4=O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Belaperidone fumarate (CAS 345226-68-8), with molecular formula C26H26FN3O6 and molecular weight 495.18 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[2-[(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-1H-quinazoline-2,4-dione.
Chemical Property Profile of Belaperidone fumarate
Property Insights of Belaperidone fumarate
The XLogP value of 2.2762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Belaperidone fumarate. The TPSA of 132.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Belaperidone fumarate. Following Lipinski's Rule of Five, Belaperidone fumarate has 3 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 Belaperidone fumarate?
The CAS number of Belaperidone fumarate is 345226-68-8.
What is the molecular formula of Belaperidone fumarate?
The molecular formula of Belaperidone fumarate is C26H26FN3O6.
What is the molecular weight of Belaperidone fumarate?
The molecular weight of Belaperidone fumarate is 495.18 g/mol.
Where can I buy Belaperidone fumarate?
You can request a quote for Belaperidone fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Belaperidone fumarate?
Yes, KEHONG BIO provides custom synthesis services for Belaperidone fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.