KSC-226-52-1
TL;DR: KSC-226-52-1 (CAS 1164537-52-3) is a chemical compound with molecular formula C24H25FN6O4 and molecular weight 480.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: KSC-226-52-1, (4E)-4-[[2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one, 4-[({2-[4-(3-fluorobenzoyl)-1-piperazinyl]ethyl}amino)methylene]-2-{4-nitrophenyl}-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 4-[2-[4-(3-Fluorobenzoyl)piperazin-1-yl]ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one, (4E)-4-{[(2-{4-[(3-fluorophenyl)carbonyl]piperazin-1-yl}ethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C24H25FN6O4 |
|---|---|
| Molecular Weight | 480.19 g/mol |
| LogP | 2.39822 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.19214 |
| Heavy Atoms | 35 |
| Complexity | 1306.2937 |
Chemical Identifiers
| CAS Number | 1164537-52-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=NCCN3CCN(CC3)C(=O)C4=CC(=CC=C4)F |
Product Overview
KSC-226-52-1 (CAS 1164537-52-3), with molecular formula C24H25FN6O4 and molecular weight 480.19 g/mol. IUPAC: 4-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of KSC-226-52-1
Property Insights of KSC-226-52-1
The XLogP value of 2.39822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KSC-226-52-1. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for KSC-226-52-1. Following Lipinski's Rule of Five, KSC-226-52-1 has 1 hydrogen bond donor(s) and 6 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 KSC-226-52-1?
The CAS number of KSC-226-52-1 is 1164537-52-3.
What is the molecular formula of KSC-226-52-1?
The molecular formula of KSC-226-52-1 is C24H25FN6O4.
What is the molecular weight of KSC-226-52-1?
The molecular weight of KSC-226-52-1 is 480.19 g/mol.
Where can I buy KSC-226-52-1?
You can request a quote for KSC-226-52-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-226-52-1?
Yes, KEHONG BIO provides custom synthesis services for KSC-226-52-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.