![Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate structure](/static/products/613/613228-34-5.png)
Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate
TL;DR: Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate (CAS 613228-34-5) is a chemical compound with molecular formula C17H13BrN2O3S and molecular weight 403.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
Also Known As: methyl 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetate, methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate, methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate, methyl 2-((3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate, methyl 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
| Molecular Formula | C17H13BrN2O3S |
|---|---|
| Molecular Weight | 403.98 g/mol |
| LogP | 3.4133 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.98303 |
| Heavy Atoms | 24 |
| Complexity | 954.202 |
Chemical Identifiers
| CAS Number | 613228-34-5 |
|---|---|
| SMILES | COC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br |
Product Overview
Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate (CAS 613228-34-5), with molecular formula C17H13BrN2O3S and molecular weight 403.98 g/mol. IUPAC: methyl 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetate.
Chemical Property Profile of Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate
Property Insights of Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate
The XLogP value of 3.4133 indicates that Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate. Following Lipinski's Rule of Five, Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate has 0 hydrogen bond donor(s) and 5 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 Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate?
The CAS number of Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate is 613228-34-5.
What is the molecular formula of Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate?
The molecular formula of Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate is C17H13BrN2O3S.
What is the molecular weight of Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate?
The molecular weight of Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate is 403.98 g/mol.
Where can I buy Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate?
You can request a quote for Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.