3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone
TL;DR: 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone (CAS 477333-37-2) is a chemical compound with molecular formula C21H14ClFN2OS and molecular weight 396.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]quinazolin-4-one
Also Known As: 3-(4-chlorophenyl)-2-((4-fluorobenzyl)thio)quinazolin-4(3H)-one, 3-(4-CHLOROPHENYL)-2-((4-FLUOROBENZYL)THIO)-4(3H)-QUINAZOLINONE, 3-(4-chlorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one, F3285-0870, 3-(4-chlorophenyl)-2-[(4-fluorobenzyl)sulfanyl]quinazolin-4(3H)-one
| Molecular Formula | C21H14ClFN2OS |
|---|---|
| Molecular Weight | 396.05 g/mol |
| LogP | 5.4705 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.04993 |
| Heavy Atoms | 27 |
| Complexity | 1157.6305 |
Chemical Identifiers
| CAS Number | 477333-37-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl |
Product Overview
3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone (CAS 477333-37-2), with molecular formula C21H14ClFN2OS and molecular weight 396.05 g/mol. IUPAC: 3-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]quinazolin-4-one.
Chemical Property Profile of 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone
Property Insights of 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone
The XLogP value of 5.4705 indicates that 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone?
The CAS number of 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone is 477333-37-2.
What is the molecular formula of 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone?
The molecular formula of 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone is C21H14ClFN2OS.
What is the molecular weight of 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone?
The molecular weight of 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone is 396.05 g/mol.
Where can I buy 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone?
You can request a quote for 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-2-((4-fluorobenzyl)thio)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.