![3-benzyl-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one structure](/static/products/587/587000-85-9.png)
3-benzyl-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
TL;DR: 3-benzyl-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 587000-85-9) is a chemical compound with molecular formula C30H28N2O2S2 and molecular weight 512.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 3-benzyl-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-benzyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-benzyl-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C30H28N2O2S2 |
|---|---|
| Molecular Weight | 512.16 g/mol |
| LogP | 6.7531 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.15924 |
| Heavy Atoms | 36 |
| Complexity | 1452.3097 |
Chemical Identifiers
| CAS Number | 587000-85-9 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=CS5)CC6=CC=CC=C6 |
Product Overview
3-benzyl-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 587000-85-9), with molecular formula C30H28N2O2S2 and molecular weight 512.16 g/mol. IUPAC: 3-benzyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 3-benzyl-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Property Insights of 3-benzyl-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
The XLogP value of 6.7531 indicates that 3-benzyl-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. With a topological polar surface area (TPSA) of 51.96 Ų, 3-benzyl-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-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, 3-benzyl-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 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-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-benzyl-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 587000-85-9.
What is the molecular formula of 3-benzyl-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-benzyl-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is C30H28N2O2S2.
What is the molecular weight of 3-benzyl-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-benzyl-2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 512.16 g/mol.
Where can I buy 3-benzyl-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-benzyl-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-benzyl-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-benzyl-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.