2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone
TL;DR: 2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone (CAS 476486-13-2) is a chemical compound with molecular formula C22H16Cl2N2OS and molecular weight 426.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
Also Known As: 2-((2,6-Dichlorobenzyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one, 2-((2,6-DICHLOROBENZYL)THIO)-3-(4-METHYLPHENYL)-4(3H)-QUINAZOLINONE, 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-3-(4-methylphenyl)-3,4-dihydroquinazolin-4-one, 2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one, 2-[(2,6-dichlorobenzyl)sulfanyl]-3-(4-methylphenyl)quinazolin-4(3H)-one
| Molecular Formula | C22H16Cl2N2OS |
|---|---|
| Molecular Weight | 426.04 g/mol |
| LogP | 6.29322 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.03604 |
| Heavy Atoms | 28 |
| Complexity | 1199.3625 |
Chemical Identifiers
| CAS Number | 476486-13-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)Cl |
Product Overview
2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone (CAS 476486-13-2), with molecular formula C22H16Cl2N2OS and molecular weight 426.04 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one.
Chemical Property Profile of 2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone
Property Insights of 2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone
The XLogP value of 6.29322 indicates that 2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-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-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-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-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone?
The CAS number of 2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone is 476486-13-2.
What is the molecular formula of 2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone?
The molecular formula of 2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone is C22H16Cl2N2OS.
What is the molecular weight of 2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone?
The molecular weight of 2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone is 426.04 g/mol.
Where can I buy 2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone?
You can request a quote for 2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-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-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,6-Dichlorobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.