![7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one structure](/static/products/6880/688055-34-7.webp)
7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
TL;DR: 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one (CAS 688055-34-7) is a chemical compound with molecular formula C24H26N4O4S and molecular weight 466.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
Also Known As: 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one, 7-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one, 7-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one, 7-(3-(3-methyl-4-(m-tolyl)piperazin-1-yl)-3-oxopropyl)-6-thioxo-6,7-dihydro-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
| Molecular Formula | C24H26N4O4S |
|---|---|
| Molecular Weight | 466.17 g/mol |
| LogP | 3.22361 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.16748 |
| Heavy Atoms | 33 |
| Complexity | 1348.5242 |
Chemical Identifiers
| CAS Number | 688055-34-7 |
|---|---|
| SMILES | CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 |
Product Overview
7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one (CAS 688055-34-7), with molecular formula C24H26N4O4S and molecular weight 466.17 g/mol. IUPAC: 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one.
Chemical Property Profile of 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
Property Insights of 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
The XLogP value of 3.22361 indicates that 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one. Following Lipinski's Rule of Five, 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one has 1 hydrogen bond donor(s) and 6 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 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The CAS number of 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one is 688055-34-7.
What is the molecular formula of 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The molecular formula of 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one is C24H26N4O4S.
What is the molecular weight of 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The molecular weight of 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one is 466.17 g/mol.
Where can I buy 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
You can request a quote for 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 7-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.