2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-4(3H)-quinazolinone
TL;DR: 2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-4(3H)-quinazolinone (CAS 477313-85-2) is a chemical compound with molecular formula C21H14Br2N2OS and molecular weight 499.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-2-[(4-bromophenyl)methylsulfanyl]quinazolin-4-one
Also Known As: 2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)quinazolin-4(3H)-one, 2-((4-bromobenzyl)thio)-3-(4-bromophenyl)-4(3h)-quinazolinone, 3-(4-bromophenyl)-2-[(4-bromophenyl)methylsulfanyl]quinazolin-4-one, 2-[(4-bromobenzyl)sulfanyl]-3-(4-bromophenyl)-4(3H)-quinazolinone, 2-[(4-bromobenzyl)sulfanyl]-3-(4-bromophenyl)quinazolin-4(3H)-one
| Molecular Formula | C21H14Br2N2OS |
|---|---|
| Molecular Weight | 499.92 g/mol |
| LogP | 6.203 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.91937 |
| Heavy Atoms | 27 |
| Complexity | 1155.6305 |
Chemical Identifiers
| CAS Number | 477313-85-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br |
Product Overview
2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-4(3H)-quinazolinone (CAS 477313-85-2), with molecular formula C21H14Br2N2OS and molecular weight 499.92 g/mol. IUPAC: 3-(4-bromophenyl)-2-[(4-bromophenyl)methylsulfanyl]quinazolin-4-one.
Chemical Property Profile of 2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-4(3H)-quinazolinone
Property Insights of 2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-4(3H)-quinazolinone
The XLogP value of 6.203 indicates that 2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-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-bromophenyl)-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-bromophenyl)-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-bromophenyl)-4(3H)-quinazolinone?
The CAS number of 2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-4(3H)-quinazolinone is 477313-85-2.
What is the molecular formula of 2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-4(3H)-quinazolinone?
The molecular formula of 2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-4(3H)-quinazolinone is C21H14Br2N2OS.
What is the molecular weight of 2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-4(3H)-quinazolinone?
The molecular weight of 2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-4(3H)-quinazolinone is 499.92 g/mol.
Where can I buy 2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-4(3H)-quinazolinone?
You can request a quote for 2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-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-bromophenyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Bromobenzyl)thio)-3-(4-bromophenyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.