RefChem:1054386
TL;DR: RefChem:1054386 (CAS 83892-87-9) is a chemical compound with molecular formula C24H28FN3O and molecular weight 393.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-[3-(1H-indol-3-ylmethyl)-4-methylpiperazin-1-yl]butan-1-one
Also Known As: 1-Methyl-2-(3-indolylmethyl)-4-gamma-(p-fluorobenzoyl)propylpiperazine, 4'-Fluoro-4-(3-(3-indolylmethyl)-4-methyl-1-piperazinyl)butyrophenone, 1-Butanone, 1-(4-fluorophenyl)-4-(3-(1H-indol-3-ylmethyl)-4-methyl-1-piperazinyl)-, 1-(4-Fluorophenyl)-4-{3-[(1H-indol-3-yl)methyl]-4-methylpiperazin-1-yl}butan-1-one, BUTYROPHENONE, 4'-FLUORO-4-(3-(3-INDOLYLMETHYL)-4-METHYL-1-PIPERAZINYL)-
| Molecular Formula | C24H28FN3O |
|---|---|
| Molecular Weight | 393.22 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.22165 |
| Heavy Atoms | 29 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 83892-87-9 |
|---|---|
| SMILES | CN1CCN(CC1CC2=CNC3=CC=CC=C32)CCCC(=O)C4=CC=C(C=C4)F |
| InChIKey | KUUMBFIVZDMVRO-UHFFFAOYSA-N |
Product Overview
RefChem:1054386 (CAS 83892-87-9), with molecular formula C24H28FN3O and molecular weight 393.22 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[3-(1H-indol-3-ylmethyl)-4-methylpiperazin-1-yl]butan-1-one.
Chemical Property Profile of RefChem:1054386
Property Insights of RefChem:1054386
The XLogP value of 4.0 indicates that RefChem:1054386 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.3 Ų, RefChem:1054386 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054386 has 1 hydrogen bond donor(s) and 4 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 RefChem:1054386?
The CAS number of RefChem:1054386 is 83892-87-9.
What is the molecular formula of RefChem:1054386?
The molecular formula of RefChem:1054386 is C24H28FN3O.
What is the molecular weight of RefChem:1054386?
The molecular weight of RefChem:1054386 is 393.22 g/mol.
Where can I buy RefChem:1054386?
You can request a quote for RefChem:1054386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054386?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.