![3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one structure](/static/products/799/799807-18-4.png)
3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
TL;DR: 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 799807-18-4) is a chemical compound with molecular formula C26H31N3O2S and molecular weight 449.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C26H31N3O2S |
|---|---|
| Molecular Weight | 449.21 g/mol |
| LogP | 4.5688 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.21368 |
| Heavy Atoms | 32 |
| Complexity | 1094.7362 |
Chemical Identifiers
| CAS Number | 799807-18-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)N5CCCCC5 |
Product Overview
3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 799807-18-4), with molecular formula C26H31N3O2S and molecular weight 449.21 g/mol. IUPAC: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Property Insights of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
The XLogP value of 4.5688 indicates that 3-allyl-2-((2-oxo-2-(piperidin-1-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. With a topological polar surface area (TPSA) of 55.2 Ų, 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The CAS number of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 799807-18-4.
What is the molecular formula of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular formula of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is C26H31N3O2S.
What is the molecular weight of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular weight of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 449.21 g/mol.
Where can I buy 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
You can request a quote for 3-allyl-2-((2-oxo-2-(piperidin-1-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-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-((2-oxo-2-(piperidin-1-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.