![9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e structure](/static/products/100/1005041-99-5.png)
9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e
TL;DR: 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e (CAS 1005041-99-5) is a chemical compound with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-ethoxy-3-methoxyphenyl)-12-imino-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile
Also Known As: 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e, 2-(4-ethoxy-3-methoxyphenyl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile, 2-(4-ethoxy-3-methoxyphenyl)-10-iminotetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
| Molecular Formula | C22H22N4O4 |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 3.60271 |
| Topological Polar Surface Area | 132.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.1641 |
| Heavy Atoms | 30 |
| Complexity | 1005.4346 |
Chemical Identifiers
| CAS Number | 1005041-99-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2C3(C(=N)OC4(O2)CCCCC4C3(C#N)C#N)C#N)OC |
Product Overview
9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e (CAS 1005041-99-5), with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol. IUPAC: 9-(4-ethoxy-3-methoxyphenyl)-12-imino-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile.
Chemical Property Profile of 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e
Property Insights of 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e
The XLogP value of 3.60271 indicates that 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e. Following Lipinski's Rule of Five, 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e has 1 hydrogen bond donor(s) and 8 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 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e?
The CAS number of 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e is 1005041-99-5.
What is the molecular formula of 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e?
The molecular formula of 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e is C22H22N4O4.
What is the molecular weight of 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e?
The molecular weight of 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e is 406.16 g/mol.
Where can I buy 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e?
You can request a quote for 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-Ethoxy-3-methoxy-phenyl)-12-imino-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitril e and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.