![13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile structure](/static/products/116/1164552-09-3.png)
13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile
TL;DR: 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile (CAS 1164552-09-3) is a chemical compound with molecular formula C21H20N4O2 and molecular weight 360.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-imino-10-(4-methylphenyl)-11,12-dioxatricyclo[6.3.2.01,7]tridecane-8,9,9-tricarbonitrile
Also Known As: 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile, 11-imino-2-(4-methylphenyl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4-tricarbonitrile, 11-imino-2-(p-tolyl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile
| Molecular Formula | C21H20N4O2 |
|---|---|
| Molecular Weight | 360.16 g/mol |
| LogP | 3.89393 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 360.15863 |
| Heavy Atoms | 27 |
| Complexity | 905.4756 |
Chemical Identifiers
| CAS Number | 1164552-09-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(C3(C4CCCCCC4(O2)OC3=N)C#N)(C#N)C#N |
Product Overview
13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile (CAS 1164552-09-3), with molecular formula C21H20N4O2 and molecular weight 360.16 g/mol. IUPAC: 13-imino-10-(4-methylphenyl)-11,12-dioxatricyclo[6.3.2.01,7]tridecane-8,9,9-tricarbonitrile.
Chemical Property Profile of 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile
Property Insights of 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile
The XLogP value of 3.89393 indicates that 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-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 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile. Following Lipinski's Rule of Five, 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-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 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile?
The CAS number of 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile is 1164552-09-3.
What is the molecular formula of 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile?
The molecular formula of 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile is C21H20N4O2.
What is the molecular weight of 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile?
The molecular weight of 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile is 360.16 g/mol.
Where can I buy 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile?
You can request a quote for 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 13-Imino-10-p-tolyl-11,12-dioxa-tricyclo[6.3.2.0*1,7*]tridecane-8,9,9-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.