![2-(benzo[d][1,3]dioxol-5-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile structure](/static/products/896/896062-79-6.png)
2-(benzo[d][1,3]dioxol-5-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
TL;DR: 2-(benzo[d][1,3]dioxol-5-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile (CAS 896062-79-6) is a chemical compound with molecular formula C22H15N3O4 and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-4-imino-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile
Also Known As: 2-(benzo[d][1,3]dioxol-5-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile, 2-(1,3-benzodioxol-5-yl)-4-imino-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile, 2-(1,3-benzodioxol-5-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
| Molecular Formula | C22H15N3O4 |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 3.18675 |
| Topological Polar Surface Area | 89.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 385.10626 |
| Heavy Atoms | 29 |
| Complexity | 1302.8754 |
Chemical Identifiers
| CAS Number | 896062-79-6 |
|---|---|
| SMILES | C1CN2C(=CC(=C(C2=N)C#N)C3=CC4=C(C=C3)OCO4)C5=CC6=C(C=C51)OCO6 |
Product Overview
2-(benzo[d][1,3]dioxol-5-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile (CAS 896062-79-6), with molecular formula C22H15N3O4 and molecular weight 385.11 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-4-imino-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile.
Chemical Property Profile of 2-(benzo[d][1,3]dioxol-5-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Property Insights of 2-(benzo[d][1,3]dioxol-5-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
The XLogP value of 3.18675 indicates that 2-(benzo[d][1,3]dioxol-5-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 89.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzo[d][1,3]dioxol-5-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-(benzo[d][1,3]dioxol-5-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 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 2-(benzo[d][1,3]dioxol-5-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-(benzo[d][1,3]dioxol-5-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile is 896062-79-6.
What is the molecular formula of 2-(benzo[d][1,3]dioxol-5-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-(benzo[d][1,3]dioxol-5-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile is C22H15N3O4.
What is the molecular weight of 2-(benzo[d][1,3]dioxol-5-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-(benzo[d][1,3]dioxol-5-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile is 385.11 g/mol.
Where can I buy 2-(benzo[d][1,3]dioxol-5-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-(benzo[d][1,3]dioxol-5-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-(benzo[d][1,3]dioxol-5-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-(benzo[d][1,3]dioxol-5-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.