![3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one structure](/static/products/586/586992-83-8.png)
3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
TL;DR: 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 586992-83-8) is a chemical compound with molecular formula C30H28N2O3S2 and molecular weight 528.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-(3-methoxyphenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-(3-methoxyphenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C30H28N2O3S2 |
|---|---|
| Molecular Weight | 528.15 g/mol |
| LogP | 6.7026 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.1541 |
| Heavy Atoms | 37 |
| Complexity | 1518.326 |
Chemical Identifiers
| CAS Number | 586992-83-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=CS6 |
Product Overview
3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 586992-83-8), with molecular formula C30H28N2O3S2 and molecular weight 528.15 g/mol. IUPAC: 3-(3-methoxyphenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Property Insights of 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
The XLogP value of 6.7026 indicates that 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one 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 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one. Following Lipinski's Rule of Five, 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-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-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The CAS number of 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 586992-83-8.
What is the molecular formula of 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular formula of 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is C30H28N2O3S2.
What is the molecular weight of 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular weight of 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 528.15 g/mol.
Where can I buy 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
You can request a quote for 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-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-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methoxyphenyl)-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.