![7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one structure](/static/products/6880/688054-82-2.webp)
7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
TL;DR: 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one (CAS 688054-82-2) is a chemical compound with molecular formula C22H23N5O4S and molecular weight 453.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
Also Known As: 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one, 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one, 7-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one, 7-(4-oxo-4-(4-(pyridin-2-yl)piperazin-1-yl)butyl)-6-thioxo-6,7-dihydro-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
| Molecular Formula | C22H23N5O4S |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | 2.31179 |
| Topological Polar Surface Area | 92.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.14706 |
| Heavy Atoms | 32 |
| Complexity | 1265.0367 |
Chemical Identifiers
| CAS Number | 688054-82-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=N2)C(=O)CCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 |
Product Overview
7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one (CAS 688054-82-2), with molecular formula C22H23N5O4S and molecular weight 453.15 g/mol. IUPAC: 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one.
Chemical Property Profile of 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
Property Insights of 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
The XLogP value of 2.31179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one. The TPSA of 92.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one. Following Lipinski's Rule of Five, 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one has 1 hydrogen bond donor(s) and 7 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-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The CAS number of 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one is 688054-82-2.
What is the molecular formula of 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The molecular formula of 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one is C22H23N5O4S.
What is the molecular weight of 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The molecular weight of 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one is 453.15 g/mol.
Where can I buy 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
You can request a quote for 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-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-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-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.