RefChem:331462
TL;DR: RefChem:331462 (CAS 23771-10-0) is a chemical compound with molecular formula C23H30ClFN2O4 and molecular weight 452.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride
Also Known As: Butyrophenone, 4-(4-(p-fluorophenyl)-1-piperazinyl)-3',4',5'-trimethoxy-, monohydrochloride, 4-(4-(p-Fluorophenyl)-1-piperazinyl)-3',4',5'-trimethoxy-butyrophenone monohydrochloride, 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride, RefChem:331462
| Molecular Formula | C23H30ClFN2O4 |
|---|---|
| Molecular Weight | 452.19 g/mol |
| LogP | -0.78 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.1878 |
| Heavy Atoms | 31 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 23771-10-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CCC[NH+]2CCN(CC2)C3=CC=C(C=C3)F.[Cl-] |
| InChIKey | WJFYPQFYXSXIHS-UHFFFAOYSA-N |
Product Overview
RefChem:331462 (CAS 23771-10-0), with molecular formula C23H30ClFN2O4 and molecular weight 452.19 g/mol. IUPAC: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride.
Chemical Property Profile of RefChem:331462
Property Insights of RefChem:331462
The XLogP value of -0.78 indicates that RefChem:331462 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.4 Ų, RefChem:331462 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331462 has 1 hydrogen bond donor(s) and 7 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:331462?
The CAS number of RefChem:331462 is 23771-10-0.
What is the molecular formula of RefChem:331462?
The molecular formula of RefChem:331462 is C23H30ClFN2O4.
What is the molecular weight of RefChem:331462?
The molecular weight of RefChem:331462 is 452.19 g/mol.
Where can I buy RefChem:331462?
You can request a quote for RefChem:331462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331462?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.