![2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one structure](/static/products/330/330182-33-7.png)
2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
TL;DR: 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 330182-33-7) is a chemical compound with molecular formula C28H27BrN2O2S and molecular weight 534.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-{[2-(4-BROMOPHENYL)-2-OXOETHYL]SULFANYL}-3-(2-METHYLPROP-2-EN-1-YL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOPENTAN]-4-ONE
| Molecular Formula | C28H27BrN2O2S |
|---|---|
| Molecular Weight | 534.10 g/mol |
| LogP | 6.5918 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.09766 |
| Heavy Atoms | 34 |
| Complexity | 1337.5023 |
Chemical Identifiers
| CAS Number | 330182-33-7 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)C5=CC=C(C=C5)Br |
Product Overview
2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 330182-33-7), with molecular formula C28H27BrN2O2S and molecular weight 534.10 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Property Insights of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
The XLogP value of 6.5918 indicates that 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-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 51.96 Ų, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-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, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-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 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The CAS number of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 330182-33-7.
What is the molecular formula of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular formula of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is C28H27BrN2O2S.
What is the molecular weight of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular weight of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 534.10 g/mol.
Where can I buy 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
You can request a quote for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-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 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-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.