KST-1B8713
TL;DR: KST-1B8713 (CAS 80866-95-1) is a chemical compound with molecular formula C21H20F4N2O and molecular weight 392.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(3-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one
Also Known As: KST-1B8713, 1-(3-fluorophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}but-2-en-1-one, (E)-1-(3-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one, 1-(3-Fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-2-buten-1-one, 2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-
| Molecular Formula | C21H20F4N2O |
|---|---|
| Molecular Weight | 392.15 g/mol |
| LogP | 4.7532 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.15118 |
| Heavy Atoms | 28 |
| Complexity | 883.9695 |
Chemical Identifiers
| CAS Number | 80866-95-1 |
|---|---|
| SMILES | C/C(=C\C(=O)C1=CC(=CC=C1)F)/N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
KST-1B8713 (CAS 80866-95-1), with molecular formula C21H20F4N2O and molecular weight 392.15 g/mol. IUPAC: (E)-1-(3-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one.
Chemical Property Profile of KST-1B8713
Property Insights of KST-1B8713
The XLogP value of 4.7532 indicates that KST-1B8713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, KST-1B8713 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B8713 has 0 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 KST-1B8713?
The CAS number of KST-1B8713 is 80866-95-1.
What is the molecular formula of KST-1B8713?
The molecular formula of KST-1B8713 is C21H20F4N2O.
What is the molecular weight of KST-1B8713?
The molecular weight of KST-1B8713 is 392.15 g/mol.
Where can I buy KST-1B8713?
You can request a quote for KST-1B8713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B8713?
Yes, KEHONG BIO provides custom synthesis services for KST-1B8713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.