ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate
TL;DR: ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate (CAS 586984-78-3) is a chemical compound with molecular formula C20H18BrN3O4S and molecular weight 475.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate
Also Known As: ethyl 2-(2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)acetate, Ethyl 2-(2-((3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamido)acetate, ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate, ethyl [({[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetyl)amino]acetate, Ethyl 2-[[2-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]acetate
| Molecular Formula | C20H18BrN3O4S |
|---|---|
| Molecular Weight | 475.02 g/mol |
| LogP | 2.9196 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.02014 |
| Heavy Atoms | 29 |
| Complexity | 1099.0718 |
Chemical Identifiers
| CAS Number | 586984-78-3 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br |
Product Overview
ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate (CAS 586984-78-3), with molecular formula C20H18BrN3O4S and molecular weight 475.02 g/mol. IUPAC: ethyl 2-[[2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate.
Chemical Property Profile of ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate
Property Insights of ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate
The XLogP value of 2.9196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate. Following Lipinski's Rule of Five, ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate has 1 hydrogen bond donor(s) and 6 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 ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate?
The CAS number of ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate is 586984-78-3.
What is the molecular formula of ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate?
The molecular formula of ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate is C20H18BrN3O4S.
What is the molecular weight of ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate?
The molecular weight of ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate is 475.02 g/mol.
Where can I buy ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate?
You can request a quote for ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for ET((((3-(4-BR-PH)-4-Oxo-3,4-dihydro-2-quinazolinyl)thio)acetyl)amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.