![2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile structure](/static/products/879/879446-66-9.png)
2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
TL;DR: 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile (CAS 879446-66-9) is a chemical compound with molecular formula C25H15ClN4O5 and molecular weight 486.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-4-imino-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile
Also Known As: 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile, 2-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-4-imino-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile, 2-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
| Molecular Formula | C25H15ClN4O5 |
|---|---|
| Molecular Weight | 486.07 g/mol |
| LogP | 5.27965 |
| Topological Polar Surface Area | 127.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 486.0731 |
| Heavy Atoms | 35 |
| Complexity | 1663.796 |
Chemical Identifiers
| CAS Number | 879446-66-9 |
|---|---|
| SMILES | C1CN2C(=CC(=C(C2=N)C#N)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C5=CC6=C(C=C51)OCO6 |
Product Overview
2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile (CAS 879446-66-9), with molecular formula C25H15ClN4O5 and molecular weight 486.07 g/mol. IUPAC: 2-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-4-imino-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile.
Chemical Property Profile of 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Property Insights of 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
The XLogP value of 5.27965 indicates that 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile?
The CAS number of 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile is 879446-66-9.
What is the molecular formula of 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile?
The molecular formula of 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile is C25H15ClN4O5.
What is the molecular weight of 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile?
The molecular weight of 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile is 486.07 g/mol.
Where can I buy 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile?
You can request a quote for 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.