![3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile structure](/static/products/168/1685289-40-0.png)
3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
TL;DR: 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile (CAS 1685289-40-0) is a chemical compound with molecular formula C20H14N4O3 and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Also Known As: 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
| Molecular Formula | C20H14N4O3 |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 3.40191 |
| Topological Polar Surface Area | 126.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.1066 |
| Heavy Atoms | 27 |
| Complexity | 1013.9145 |
Chemical Identifiers
| CAS Number | 1685289-40-0 |
|---|---|
| SMILES | CC12C(C(C(=N)O1)(C(C(O2)C3=CC=CO3)(C#N)C#N)C#N)C4=CC=CC=C4 |
Product Overview
3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile (CAS 1685289-40-0), with molecular formula C20H14N4O3 and molecular weight 358.11 g/mol. IUPAC: 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile.
Chemical Property Profile of 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Property Insights of 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
The XLogP value of 3.40191 indicates that 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile. Following Lipinski's Rule of Five, 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile 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 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
The CAS number of 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile is 1685289-40-0.
What is the molecular formula of 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
The molecular formula of 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile is C20H14N4O3.
What is the molecular weight of 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
The molecular weight of 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile is 358.11 g/mol.
Where can I buy 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
You can request a quote for 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.