3N-(2'-Fluoroethyl)benperidol
TL;DR: 3N-(2'-Fluoroethyl)benperidol (CAS 146436-64-8) is a chemical compound with molecular formula C24H27F2N3O2 and molecular weight 427.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluoroethyl)-3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]benzimidazol-2-one
Also Known As: F-FEB, 3N-(2'-Fluoroethyl)benperidol, 3N-(2/'-Fluoroethyl)benperidol, 1-(2-fluoroethyl)-3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]benzimidazol-2-one, 1-(2-Fluoroethyl)-3-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl}-1,3-dihydro-2H-1,3-benzimidazol-2-one
| Molecular Formula | C24H27F2N3O2 |
|---|---|
| Molecular Weight | 427.21 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.20712 |
| Heavy Atoms | 31 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 146436-64-8 |
|---|---|
| SMILES | C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CCF)CCCC(=O)C4=CC=C(C=C4)F |
| InChIKey | GPNFFAGPGDOGIZ-UHFFFAOYSA-N |
Product Overview
3N-(2'-Fluoroethyl)benperidol (CAS 146436-64-8), with molecular formula C24H27F2N3O2 and molecular weight 427.21 g/mol. IUPAC: 1-(2-fluoroethyl)-3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]benzimidazol-2-one.
Chemical Property Profile of 3N-(2'-Fluoroethyl)benperidol
Property Insights of 3N-(2'-Fluoroethyl)benperidol
The XLogP value of 3.6 indicates that 3N-(2'-Fluoroethyl)benperidol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.9 Ų, 3N-(2'-Fluoroethyl)benperidol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3N-(2'-Fluoroethyl)benperidol has 0 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 3N-(2'-Fluoroethyl)benperidol?
The CAS number of 3N-(2'-Fluoroethyl)benperidol is 146436-64-8.
What is the molecular formula of 3N-(2'-Fluoroethyl)benperidol?
The molecular formula of 3N-(2'-Fluoroethyl)benperidol is C24H27F2N3O2.
What is the molecular weight of 3N-(2'-Fluoroethyl)benperidol?
The molecular weight of 3N-(2'-Fluoroethyl)benperidol is 427.21 g/mol.
Where can I buy 3N-(2'-Fluoroethyl)benperidol?
You can request a quote for 3N-(2'-Fluoroethyl)benperidol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3N-(2'-Fluoroethyl)benperidol?
Yes, KEHONG BIO provides custom synthesis services for 3N-(2'-Fluoroethyl)benperidol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.