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Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
TL;DR: Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate (CAS 58126-11-7) is a chemical compound with molecular formula C19H17BrN2O3S and molecular weight 432.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
Also Known As: ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate, Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate, ethyl {[6-bromo-3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate, ethyl 2-((6-bromo-4-oxo-3-(p-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetate
| Molecular Formula | C19H17BrN2O3S |
|---|---|
| Molecular Weight | 432.01 g/mol |
| LogP | 4.11182 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.01434 |
| Heavy Atoms | 26 |
| Complexity | 1015.70825 |
Chemical Identifiers
| CAS Number | 58126-11-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)C |
Product Overview
Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate (CAS 58126-11-7), with molecular formula C19H17BrN2O3S and molecular weight 432.01 g/mol. IUPAC: ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
Property Insights of Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
The XLogP value of 4.11182 indicates that Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate 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 Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate 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 Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
The CAS number of Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate is 58126-11-7.
What is the molecular formula of Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
The molecular formula of Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate is C19H17BrN2O3S.
What is the molecular weight of Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
The molecular weight of Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate is 432.01 g/mol.
Where can I buy Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
You can request a quote for Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[6-bromo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.