![3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one structure](/static/products/2897/289711-77-9.webp)
3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
TL;DR: 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CAS 289711-77-9) is a chemical compound with molecular formula C27H28N2OS and molecular weight 428.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 2-(allylsulfanyl)-3-(4-methylphenyl)-5,6-dihydro-4(3H)-oxospiro(benzo[h]quinazoline-5,1'-cyclohexane), 2-(allylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-(4-methylphenyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-(4-METHYLPHENYL)-2-(PROP-2-EN-1-YLSULFANYL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOHEXAN]-4-ONE
| Molecular Formula | C27H28N2OS |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 6.24402 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.19223 |
| Heavy Atoms | 31 |
| Complexity | 1186.8486 |
Chemical Identifiers
| CAS Number | 289711-77-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC=C |
Product Overview
3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CAS 289711-77-9), with molecular formula C27H28N2OS and molecular weight 428.19 g/mol. IUPAC: 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Property Insights of 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
The XLogP value of 6.24402 indicates that 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-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, 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The CAS number of 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is 289711-77-9.
What is the molecular formula of 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The molecular formula of 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is C27H28N2OS.
What is the molecular weight of 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The molecular weight of 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is 428.19 g/mol.
Where can I buy 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
You can request a quote for 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.