![3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one structure](/static/products/842/842974-83-8.png)
3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
TL;DR: 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 842974-83-8) is a chemical compound with molecular formula C31H30N2O4S and molecular weight 526.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-Butyl-2-[[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]thio]spiro[benzo[h]quinazoline-5(3H),1'-cyclopentan]-4(6H)-one, 3-Butyl-2-[[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]thio]spiro[benzo[h]quinazoline-5(3H),1a(2)-cyclopentan]-4(6H)-one, 3-butyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 3-butyl-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C31H30N2O4S |
|---|---|
| Molecular Weight | 526.19 g/mol |
| LogP | 6.1597 |
| Topological Polar Surface Area | 82.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 526.1926 |
| Heavy Atoms | 38 |
| Complexity | 1663.0416 |
Chemical Identifiers
| CAS Number | 842974-83-8 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)C5=CC6=CC=CC=C6OC5=O |
Product Overview
3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 842974-83-8), with molecular formula C31H30N2O4S and molecular weight 526.19 g/mol. IUPAC: 3-butyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Property Insights of 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
The XLogP value of 6.1597 indicates that 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one. Following Lipinski's Rule of Five, 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The CAS number of 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 842974-83-8.
What is the molecular formula of 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular formula of 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is C31H30N2O4S.
What is the molecular weight of 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular weight of 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 526.19 g/mol.
Where can I buy 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
You can request a quote for 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-butyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.