Benperidol hydrochloride
TL;DR: Benperidol hydrochloride (CAS 983-42-6) is a chemical compound with molecular formula C22H25ClFN3O2 and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
Also Known As: Benperidol hydrochloride, Benperidol HCl, Benzperidol hydrochloride, EINECS 277-807-1, 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one hydrochloride
| Molecular Formula | C22H25ClFN3O2 |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 4.1905 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.16193 |
| Heavy Atoms | 29 |
| Complexity | 1020.46344 |
Chemical Identifiers
| CAS Number | 983-42-6 |
|---|---|
| SMILES | C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F.Cl |
Product Overview
Benperidol hydrochloride (CAS 983-42-6), with molecular formula C22H25ClFN3O2 and molecular weight 417.16 g/mol. IUPAC: 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride.
Chemical Property Profile of Benperidol hydrochloride
Property Insights of Benperidol hydrochloride
The XLogP value of 4.1905 indicates that Benperidol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, Benperidol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benperidol hydrochloride has 1 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 Benperidol hydrochloride?
The CAS number of Benperidol hydrochloride is 983-42-6.
What is the molecular formula of Benperidol hydrochloride?
The molecular formula of Benperidol hydrochloride is C22H25ClFN3O2.
What is the molecular weight of Benperidol hydrochloride?
The molecular weight of Benperidol hydrochloride is 417.16 g/mol.
Where can I buy Benperidol hydrochloride?
You can request a quote for Benperidol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benperidol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benperidol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.