![2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one structure](/static/products/578/578745-96-7.png)
2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
TL;DR: 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 578745-96-7) is a chemical compound with molecular formula C29H26N2O2S2 and molecular weight 498.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C29H26N2O2S2 |
|---|---|
| Molecular Weight | 498.14 g/mol |
| LogP | 6.694 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.1436 |
| Heavy Atoms | 35 |
| Complexity | 1435.5457 |
Chemical Identifiers
| CAS Number | 578745-96-7 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=CS5)C6=CC=CC=C6 |
Product Overview
2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 578745-96-7), with molecular formula C29H26N2O2S2 and molecular weight 498.14 g/mol. IUPAC: 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Property Insights of 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
The XLogP value of 6.694 indicates that 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The CAS number of 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 578745-96-7.
What is the molecular formula of 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular formula of 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is C29H26N2O2S2.
What is the molecular weight of 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular weight of 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 498.14 g/mol.
Where can I buy 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
You can request a quote for 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-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 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3-phenyl-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.