![2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile structure](/static/products/448/448192-48-1.png)
2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile
TL;DR: 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile (CAS 448192-48-1) is a chemical compound with molecular formula C19H18N4O2 and molecular weight 334.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-imino-1-methyl-7-phenyl-5-propan-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Also Known As: 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile, 3-imino-1-methyl-7-phenyl-5-propan-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile, 3-Imino-5-isopropyl-1-methyl-7-phenyl-2,6-dioxa-bicyclo[2.2.2]octane-4,8,8-tricarbonitrile, 3-IMINO-5-ISOPROPYL-1-METHYL-7-PHENYL-2,6-DIOXABICYCLO[2.2.2]OCTANE-4,8,8-TRICARBONITRILE
| Molecular Formula | C19H18N4O2 |
|---|---|
| Molecular Weight | 334.14 g/mol |
| LogP | 3.09221 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.14297 |
| Heavy Atoms | 25 |
| Complexity | 830.9056 |
Chemical Identifiers
| CAS Number | 448192-48-1 |
|---|---|
| SMILES | CC(C)C1C2(C(=N)OC(O1)(C(C2(C#N)C#N)C3=CC=CC=C3)C)C#N |
Product Overview
2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile (CAS 448192-48-1), with molecular formula C19H18N4O2 and molecular weight 334.14 g/mol. IUPAC: 3-imino-1-methyl-7-phenyl-5-propan-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile.
Chemical Property Profile of 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile
Property Insights of 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile
The XLogP value of 3.09221 indicates that 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-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 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile. Following Lipinski's Rule of Five, 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-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 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile?
The CAS number of 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile is 448192-48-1.
What is the molecular formula of 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile?
The molecular formula of 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile is C19H18N4O2.
What is the molecular weight of 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile?
The molecular weight of 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile is 334.14 g/mol.
Where can I buy 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile?
You can request a quote for 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-imino-4-methyl-8-phenyl-6-propan-2-yl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.