2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone
TL;DR: 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone (CAS 488840-68-2) is a chemical compound with molecular formula C22H17BrN2O2S and molecular weight 452.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromophenyl)methylsulfanyl]-3-(4-methoxyphenyl)quinazolin-4-one
Also Known As: 2-[(3-bromophenyl)methylsulfanyl]-3-(4-methoxyphenyl)quinazolin-4-one, 2-((3-BROMOBENZYL)THIO)-3-(4-METHOXYPHENYL)-4(3H)-QUINAZOLINONE, 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one, 2-[(3-bromobenzyl)thio]-3-(4-methoxyphenyl)-4(3H)-quinazolinone, 2-{[(3-bromophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one
| Molecular Formula | C22H17BrN2O2S |
|---|---|
| Molecular Weight | 452.02 g/mol |
| LogP | 5.4491 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.0194 |
| Heavy Atoms | 28 |
| Complexity | 1189.2494 |
Chemical Identifiers
| CAS Number | 488840-68-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)Br |
Product Overview
2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone (CAS 488840-68-2), with molecular formula C22H17BrN2O2S and molecular weight 452.02 g/mol. IUPAC: 2-[(3-bromophenyl)methylsulfanyl]-3-(4-methoxyphenyl)quinazolin-4-one.
Chemical Property Profile of 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone
Property Insights of 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone
The XLogP value of 5.4491 indicates that 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone?
The CAS number of 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone is 488840-68-2.
What is the molecular formula of 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone?
The molecular formula of 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone is C22H17BrN2O2S.
What is the molecular weight of 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone?
The molecular weight of 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone is 452.02 g/mol.
Where can I buy 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone?
You can request a quote for 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-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-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Bromobenzyl)thio)-3-(4-methoxyphenyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.