匹莫齊特
TL;DR: 匹莫齊特 (CAS 2062-78-4) is a chemical compound with molecular formula C28H29F2N3O and molecular weight 461.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
匹莫齊特
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
Also Known As: pimozide, Orap, Opiran, Pimozidum, pimozida
| Molecular Formula | C28H29F2N3O |
|---|---|
| Molecular Weight | 461.23 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.22787 |
| Heavy Atoms | 34 |
| Complexity | 632.0 |
| Melting Point | 214-218 °C |
| Solubility | 10 |
Chemical Identifiers
| CAS Number | 2062-78-4 |
|---|---|
| SMILES | C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F |
| InChIKey | YVUQSNJEYSNKRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
匹莫齊特 (CAS 2062-78-4), with molecular formula C28H29F2N3O and molecular weight 461.23 g/mol. IUPAC: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one.
Chemical Property Profile of 匹莫齊特
Property Insights of 匹莫齊特
The XLogP value of 6.3 indicates that 匹莫齊特 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, 匹莫齊特 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 匹莫齊特 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 匹莫齊特?
The CAS number of 匹莫齊特 is 2062-78-4.
What is the molecular formula of 匹莫齊特?
The molecular formula of 匹莫齊特 is C28H29F2N3O.
What is the molecular weight of 匹莫齊特?
The molecular weight of 匹莫齊特 is 461.23 g/mol.
Where can I buy 匹莫齊特?
You can request a quote for 匹莫齊特 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 匹莫齊特?
Yes, KEHONG BIO provides custom synthesis services for 匹莫齊特 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.