![9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile structure](/static/products/100/1005041-73-5.png)
9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile
TL;DR: 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile (CAS 1005041-73-5) is a chemical compound with molecular formula C27H32N4O3 and molecular weight 460.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-imino-12-(4-octoxyphenyl)-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile
Also Known As: 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile, 2-imino-10-(4-(octyloxy)phenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile, 2-imino-10-[4-(octyloxy)phenyl]tetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
| Molecular Formula | C27H32N4O3 |
|---|---|
| Molecular Weight | 460.25 g/mol |
| LogP | 5.93471 |
| Topological Polar Surface Area | 122.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.24744 |
| Heavy Atoms | 34 |
| Complexity | 1019.93054 |
Chemical Identifiers
| CAS Number | 1005041-73-5 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C2C3(C(=N)OC4(O2)CCCCC4C3(C#N)C#N)C#N |
Product Overview
9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile (CAS 1005041-73-5), with molecular formula C27H32N4O3 and molecular weight 460.25 g/mol. IUPAC: 9-imino-12-(4-octoxyphenyl)-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile.
Chemical Property Profile of 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile
Property Insights of 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile
The XLogP value of 5.93471 indicates that 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile. Following Lipinski's Rule of Five, 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile?
The CAS number of 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile is 1005041-73-5.
What is the molecular formula of 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile?
The molecular formula of 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile is C27H32N4O3.
What is the molecular weight of 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile?
The molecular weight of 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile is 460.25 g/mol.
Where can I buy 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile?
You can request a quote for 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 9-Imino-12-(4-octyloxy-phenyl)-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.