![2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one structure](/static/products/328/328071-46-1.png)
2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
TL;DR: 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one (CAS 328071-46-1) is a chemical compound with molecular formula C26H25ClN2O2S and molecular weight 464.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,5-dimethyl-3-(2-methylprop-2-enyl)-6H-benzo[h]quinazolin-4-one
Also Known As: 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,5-dimethyl-3-(2-methylprop-2-enyl)-6H-benzo[h]quinazolin-4-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-3-(2-methylprop-2-en-1-yl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
| Molecular Formula | C26H25ClN2O2S |
|---|---|
| Molecular Weight | 464.13 g/mol |
| LogP | 5.9485 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.13254 |
| Heavy Atoms | 32 |
| Complexity | 1275.9746 |
Chemical Identifiers
| CAS Number | 328071-46-1 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC2(C)C)N=C1SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one (CAS 328071-46-1), with molecular formula C26H25ClN2O2S and molecular weight 464.13 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,5-dimethyl-3-(2-methylprop-2-enyl)-6H-benzo[h]quinazolin-4-one.
Chemical Property Profile of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Property Insights of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
The XLogP value of 5.9485 indicates that 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-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-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-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-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
The CAS number of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one is 328071-46-1.
What is the molecular formula of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
The molecular formula of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one is C26H25ClN2O2S.
What is the molecular weight of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
The molecular weight of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one is 464.13 g/mol.
Where can I buy 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
You can request a quote for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-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-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-3-(2-methylallyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.