![4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid structure](/static/products/6892/689228-18-0.webp)
4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid
TL;DR: 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid (CAS 689228-18-0) is a chemical compound with molecular formula C17H12N2O5S and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzoic acid
Also Known As: 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid, F0919-6676, 4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzoic acid, 4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzoic acid
| Molecular Formula | C17H12N2O5S |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 2.53429 |
| Topological Polar Surface Area | 93.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.0467 |
| Heavy Atoms | 25 |
| Complexity | 1114.8169 |
Chemical Identifiers
| CAS Number | 689228-18-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)C(=O)O |
Product Overview
4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid (CAS 689228-18-0), with molecular formula C17H12N2O5S and molecular weight 356.05 g/mol. IUPAC: 4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzoic acid.
Chemical Property Profile of 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid
Property Insights of 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid
The XLogP value of 2.53429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid. The TPSA of 93.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid. Following Lipinski's Rule of Five, 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid has 2 hydrogen bond donor(s) and 5 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 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid?
The CAS number of 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid is 689228-18-0.
What is the molecular formula of 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid?
The molecular formula of 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid is C17H12N2O5S.
What is the molecular weight of 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid?
The molecular weight of 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid is 356.05 g/mol.
Where can I buy 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid?
You can request a quote for 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.