![3-benzyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one structure](/static/products/488/488858-86-2.png)
3-benzyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
TL;DR: 3-benzyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 488858-86-2) is a chemical compound with molecular formula C31H35N3O2S and molecular weight 513.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 3-benzyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-benzyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-benzyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C31H35N3O2S |
|---|---|
| Molecular Weight | 513.25 g/mol |
| LogP | 5.8212 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.245 |
| Heavy Atoms | 37 |
| Complexity | 1338.3042 |
Chemical Identifiers
| CAS Number | 488858-86-2 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)N5CCCCC5)CC6=CC=CC=C6 |
Product Overview
3-benzyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 488858-86-2), with molecular formula C31H35N3O2S and molecular weight 513.25 g/mol. IUPAC: 3-benzyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 3-benzyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Property Insights of 3-benzyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
The XLogP value of 5.8212 indicates that 3-benzyl-2-((2-oxo-2-(piperidin-1-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 55.2 Ų, 3-benzyl-2-((2-oxo-2-(piperidin-1-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-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one has 0 hydrogen bond donor(s) and 4 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-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The CAS number of 3-benzyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 488858-86-2.
What is the molecular formula of 3-benzyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular formula of 3-benzyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is C31H35N3O2S.
What is the molecular weight of 3-benzyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular weight of 3-benzyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 513.25 g/mol.
Where can I buy 3-benzyl-2-((2-oxo-2-(piperidin-1-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-(piperidin-1-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-(piperidin-1-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-(piperidin-1-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.