![1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile structure](/static/products/100/1005041-84-8.png)
1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
TL;DR: 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile (CAS 1005041-84-8) is a chemical compound with molecular formula C18H16N4O2 and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Also Known As: 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile, 1-Ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxa-bicyclo[3.2.1]octane-4,4,5-tricarbonitrile
| Molecular Formula | C18H16N4O2 |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 3.05131 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.12732 |
| Heavy Atoms | 24 |
| Complexity | 802.151 |
Chemical Identifiers
| CAS Number | 1005041-84-8 |
|---|---|
| SMILES | CCC12C(C(C(=N)O1)(C(C(O2)C3=CC=CC=C3)(C#N)C#N)C#N)C |
Product Overview
1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile (CAS 1005041-84-8), with molecular formula C18H16N4O2 and molecular weight 320.13 g/mol. IUPAC: 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile.
Chemical Property Profile of 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Property Insights of 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
The XLogP value of 3.05131 indicates that 1-ethyl-6-imino-8-methyl-3-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 113.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile. Following Lipinski's Rule of Five, 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile 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 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
The CAS number of 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile is 1005041-84-8.
What is the molecular formula of 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
The molecular formula of 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile is C18H16N4O2.
What is the molecular weight of 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
The molecular weight of 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile is 320.13 g/mol.
Where can I buy 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
You can request a quote for 1-ethyl-6-imino-8-methyl-3-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 1-ethyl-6-imino-8-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-6-imino-8-methyl-3-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.