2-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone
TL;DR: 2-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone (CAS 83671-79-8) is a chemical compound with molecular formula C22H17BrN2OS and molecular weight 436.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
Also Known As: SALOR-INT L226963-1EA, 2-((4-BROMOBENZYL)THIO)-3-(4-METHYLPHENYL)-4(3H)-QUINAZOLINONE, 2-((4-Bromobenzyl)thio)-3-(p-tolyl)quinazolin-4(3H)-one, 2-[(4-bromophenyl)methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one, 2-{[(4-bromophenyl)methyl]sulfanyl}-3-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
| Molecular Formula | C22H17BrN2OS |
|---|---|
| Molecular Weight | 436.02 g/mol |
| LogP | 5.74892 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.0245 |
| Heavy Atoms | 27 |
| Complexity | 1151.7617 |
Chemical Identifiers
| CAS Number | 83671-79-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Br |
Product Overview
2-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone (CAS 83671-79-8), with molecular formula C22H17BrN2OS and molecular weight 436.02 g/mol. IUPAC: 2-[(4-bromophenyl)methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one.
Chemical Property Profile of 2-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone
Property Insights of 2-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone
The XLogP value of 5.74892 indicates that 2-((4-Bromobenzyl)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-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Bromobenzyl)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-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone?
The CAS number of 2-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone is 83671-79-8.
What is the molecular formula of 2-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone?
The molecular formula of 2-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone is C22H17BrN2OS.
What is the molecular weight of 2-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone?
The molecular weight of 2-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone is 436.02 g/mol.
Where can I buy 2-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone?
You can request a quote for 2-((4-Bromobenzyl)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-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Bromobenzyl)thio)-3-(4-methylphenyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.