2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one
TL;DR: 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one (CAS 451463-92-6) is a chemical compound with molecular formula C28H27ClN4O2S and molecular weight 518.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one
Also Known As: 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one, 2-[(2-chlorophenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one, F0916-4864, 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-3-[3-OXO-3-(4-PHENYLPIPERAZIN-1-YL)PROPYL]-3,4-DIHYDROQUINAZOLIN-4-ONE
| Molecular Formula | C28H27ClN4O2S |
|---|---|
| Molecular Weight | 518.15 g/mol |
| LogP | 5.0811 |
| Topological Polar Surface Area | 58.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.1543 |
| Heavy Atoms | 36 |
| Complexity | 1418.2583 |
Chemical Identifiers
| CAS Number | 451463-92-6 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC5=CC=CC=C5Cl |
Product Overview
2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one (CAS 451463-92-6), with molecular formula C28H27ClN4O2S and molecular weight 518.15 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one.
Chemical Property Profile of 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one
Property Insights of 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one
The XLogP value of 5.0811 indicates that 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.44 Ų, 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one?
The CAS number of 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one is 451463-92-6.
What is the molecular formula of 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one?
The molecular formula of 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one is C28H27ClN4O2S.
What is the molecular weight of 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one?
The molecular weight of 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one is 518.15 g/mol.
Where can I buy 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one?
You can request a quote for 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-chlorobenzyl)thio)-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.