![3-(furan-2-ylmethyl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one structure](/static/products/488/488130-12-7.png)
3-(furan-2-ylmethyl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
TL;DR: 3-(furan-2-ylmethyl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 488130-12-7) is a chemical compound with molecular formula C29H33N3O3S and molecular weight 503.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 3-(furan-2-ylmethyl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-(furan-2-ylmethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-(furan-2-ylmethyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C29H33N3O3S |
|---|---|
| Molecular Weight | 503.22 g/mol |
| LogP | 5.4142 |
| Topological Polar Surface Area | 68.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.22427 |
| Heavy Atoms | 36 |
| Complexity | 1301.7937 |
Chemical Identifiers
| CAS Number | 488130-12-7 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)N5CCCCC5)CC6=CC=CO6 |
Product Overview
3-(furan-2-ylmethyl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 488130-12-7), with molecular formula C29H33N3O3S and molecular weight 503.22 g/mol. IUPAC: 3-(furan-2-ylmethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 3-(furan-2-ylmethyl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Property Insights of 3-(furan-2-ylmethyl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
The XLogP value of 5.4142 indicates that 3-(furan-2-ylmethyl)-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. The TPSA of 68.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(furan-2-ylmethyl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one. Following Lipinski's Rule of Five, 3-(furan-2-ylmethyl)-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 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-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 488130-12-7.
What is the molecular formula of 3-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is C29H33N3O3S.
What is the molecular weight of 3-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 503.22 g/mol.
Where can I buy 3-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-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.