Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate
TL;DR: Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate (CAS 177592-08-4) is a chemical compound with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetate
Also Known As: Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate, NCI60_035633, ethyl [(3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate, ethyl 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetate, ethyl [(3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetate
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 177592-08-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1N |
| InChIKey | WZDHXHNXGOBFRM-UHFFFAOYSA-N |
Product Overview
Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate (CAS 177592-08-4), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: ethyl 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetate.
Chemical Property Profile of Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate
Property Insights of Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)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 Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate?
The CAS number of Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate is 177592-08-4.
What is the molecular formula of Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate is C12H13N3O3S.
What is the molecular weight of Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate is 279.07 g/mol.
Where can I buy Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.