![2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one structure](/static/products/330/330182-52-0.png)
2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
TL;DR: 2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 330182-52-0) is a chemical compound with molecular formula C22H26N2OS and molecular weight 366.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 01322134, 2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-ethyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-ethyl-2-prop-2-enylthiospiro[3,5,6-trihydrobenzo[h]quinazoline-5,1'-cyclohex ane]-4-one, 3-ethyl-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C22H26N2OS |
|---|---|
| Molecular Weight | 366.18 g/mol |
| LogP | 4.9663 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.17657 |
| Heavy Atoms | 26 |
| Complexity | 893.5006 |
Chemical Identifiers
| CAS Number | 330182-52-0 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC=C |
Product Overview
2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 330182-52-0), with molecular formula C22H26N2OS and molecular weight 366.18 g/mol. IUPAC: 3-ethyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Property Insights of 2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
The XLogP value of 4.9663 indicates that 2-(allylthio)-3-ethyl-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 34.89 Ų, 2-(allylthio)-3-ethyl-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-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one has 0 hydrogen bond donor(s) and 3 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 2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The CAS number of 2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 330182-52-0.
What is the molecular formula of 2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular formula of 2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is C22H26N2OS.
What is the molecular weight of 2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular weight of 2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 366.18 g/mol.
Where can I buy 2-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
You can request a quote for 2-(allylthio)-3-ethyl-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-(allylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(allylthio)-3-ethyl-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.