![1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile structure](/static/products/2865/28657-79-6.webp)
1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile
TL;DR: 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile (CAS 28657-79-6) is a chemical compound with molecular formula C12H9N3O3 and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile
Also Known As: 1-Ethyl-1,4-dihydro-4-oxo(1,3)dioxolo(4,5-g)cinnoline-3-carbonitrile, 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile, 1-ethyl-3-cyano-6,7-methylenedioxy-4-cinnolone, 1-ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile, 1-Ethyl-4-oxo-1,4-dihydro-[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile
| Molecular Formula | C12H9N3O3 |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.06439 |
| Heavy Atoms | 18 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 28657-79-6 |
|---|---|
| SMILES | CCN1C2=CC3=C(C=C2C(=O)C(=N1)C#N)OCO3 |
| InChIKey | ZJNYDFMLLCPHFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile (CAS 28657-79-6), with molecular formula C12H9N3O3 and molecular weight 243.06 g/mol. IUPAC: 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile.
Chemical Property Profile of 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile
Property Insights of 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile. Following Lipinski's Rule of Five, 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile has 0 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 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile?
The CAS number of 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile is 28657-79-6.
What is the molecular formula of 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile?
The molecular formula of 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile is C12H9N3O3.
What is the molecular weight of 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile?
The molecular weight of 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile is 243.06 g/mol.
Where can I buy 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile?
You can request a quote for 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.