Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate
TL;DR: Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate (CAS 220026-75-5) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate
Also Known As: J1.040.280H, Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate, methyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate, methyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate, 2-[(Methoxycarbonyl)methylthio]-3-phenylquinazoline-4(3H)-one
| Molecular Formula | C17H14N2O3S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.0725 |
| Heavy Atoms | 23 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 220026-75-5 |
|---|---|
| SMILES | COC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3 |
| InChIKey | QBKFJJSNKWKRRJ-UHFFFAOYSA-N |
Product Overview
Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate (CAS 220026-75-5), with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol. IUPAC: methyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate.
Chemical Property Profile of Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate
Property Insights of Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate
The XLogP value of 3.3 indicates that Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)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 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate?
The CAS number of Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate is 220026-75-5.
What is the molecular formula of Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate?
The molecular formula of Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate is C17H14N2O3S.
What is the molecular weight of Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate?
The molecular weight of Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate is 326.07 g/mol.
Where can I buy Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate?
You can request a quote for Methyl 2-((4-oxo-3-phenyl-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 Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.