RefChem:284139
TL;DR: RefChem:284139 (CAS 81279-28-9) is a chemical compound with molecular formula C26H23FN4O2S and molecular weight 474.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 3-(m-fluorophenyl)-2-(((4-phenyl-1-piperazinylcarbonyl)methyl)thio)-, 3-(m-Fluorophenyl)-2-(((4-phenyl-1-piperazinylcarbonyl)methyl)thio)-4(3H)-quinazolinone, 3-(3-Fluorophenyl)-2-[[[(4-phenylpiperazin-1-yl)carbonyl]methyl]thio]quinazolin-4(3H)-one, 3-(3-fluorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one, 3-(3-fluorophenyl)-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-4-one
| Molecular Formula | C26H23FN4O2S |
|---|---|
| Molecular Weight | 474.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.1526 |
| Heavy Atoms | 34 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 81279-28-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)F |
| InChIKey | AIEKQWJYNZQYSM-UHFFFAOYSA-N |
Product Overview
RefChem:284139 (CAS 81279-28-9), with molecular formula C26H23FN4O2S and molecular weight 474.15 g/mol. IUPAC: 3-(3-fluorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one.
Chemical Property Profile of RefChem:284139
Property Insights of RefChem:284139
The XLogP value of 4.6 indicates that RefChem:284139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:284139. Following Lipinski's Rule of Five, RefChem:284139 has 0 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 RefChem:284139?
The CAS number of RefChem:284139 is 81279-28-9.
What is the molecular formula of RefChem:284139?
The molecular formula of RefChem:284139 is C26H23FN4O2S.
What is the molecular weight of RefChem:284139?
The molecular weight of RefChem:284139 is 474.15 g/mol.
Where can I buy RefChem:284139?
You can request a quote for RefChem:284139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:284139?
Yes, KEHONG BIO provides custom synthesis services for RefChem:284139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.