2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone
TL;DR: 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone (CAS 476484-69-2) is a chemical compound with molecular formula C21H13Cl2FN2OS and molecular weight 430.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-chlorophenyl)quinazolin-4-one
Also Known As: 2-((2-CHLORO-6-FLUOROBENZYL)THIO)-3-(4-CHLOROPHENYL)-4(3H)-QUINAZOLINONE, 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)quinazolin-4(3H)-one, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-chlorophenyl)-3,4-dihydroquinazolin-4-one, 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(4-chlorophenyl)quinazolin-4-one, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(4-chlorophenyl)quinazolin-4(3H)-one
| Molecular Formula | C21H13Cl2FN2OS |
|---|---|
| Molecular Weight | 430.01 g/mol |
| LogP | 6.1239 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.01096 |
| Heavy Atoms | 28 |
| Complexity | 1205.2313 |
Chemical Identifiers
| CAS Number | 476484-69-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)C4=CC=C(C=C4)Cl |
Product Overview
2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone (CAS 476484-69-2), with molecular formula C21H13Cl2FN2OS and molecular weight 430.01 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-chlorophenyl)quinazolin-4-one.
Chemical Property Profile of 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone
Property Insights of 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone
The XLogP value of 6.1239 indicates that 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-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, 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-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 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone?
The CAS number of 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone is 476484-69-2.
What is the molecular formula of 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone?
The molecular formula of 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone is C21H13Cl2FN2OS.
What is the molecular weight of 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone?
The molecular weight of 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone is 430.01 g/mol.
Where can I buy 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone?
You can request a quote for 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-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 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Chloro-6-fluorobenzyl)thio)-3-(4-chlorophenyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.