3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone
TL;DR: 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone (CAS 499103-99-0) is a chemical compound with molecular formula C20H19BrN2O2S and molecular weight 430.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one
Also Known As: 3-(4-BROMOPHENYL)-2-((3,3-DIMETHYL-2-OXOBUTYL)THIO)-4(3H)-QUINAZOLINONE, 2-(3,3-dimethyl-2-oxobutylthio)-3-(4-bromophenyl)-3-hydroquinazolin-4-one, 3-(4-bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)quinazolin-4(3H)-one, 3-(4-bromophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one, 3-(4-bromophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]quinazolin-4(3H)-one
| Molecular Formula | C20H19BrN2O2S |
|---|---|
| Molecular Weight | 430.04 g/mol |
| LogP | 4.8555 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.03506 |
| Heavy Atoms | 26 |
| Complexity | 1020.646 |
Chemical Identifiers
| CAS Number | 499103-99-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br |
Product Overview
3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone (CAS 499103-99-0), with molecular formula C20H19BrN2O2S and molecular weight 430.04 g/mol. IUPAC: 3-(4-bromophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one.
Chemical Property Profile of 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone
Property Insights of 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone
The XLogP value of 4.8555 indicates that 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone?
The CAS number of 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone is 499103-99-0.
What is the molecular formula of 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone?
The molecular formula of 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone is C20H19BrN2O2S.
What is the molecular weight of 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone?
The molecular weight of 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone is 430.04 g/mol.
Where can I buy 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone?
You can request a quote for 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-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 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.