![11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile structure](/static/products/117/1177792-53-8.png)
11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile
TL;DR: 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile (CAS 1177792-53-8) is a chemical compound with molecular formula C19H17N5O2 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-imino-10-pyridin-4-yl-11,12-dioxatricyclo[6.3.2.01,7]tridecane-8,9,9-tricarbonitrile
Also Known As: 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile, 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4-tricarbonitrile
| Molecular Formula | C19H17N5O2 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 2.98051 |
| Topological Polar Surface Area | 126.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.1382 |
| Heavy Atoms | 26 |
| Complexity | 865.921 |
Chemical Identifiers
| CAS Number | 1177792-53-8 |
|---|---|
| SMILES | C1CCC2C3(CC1)OC(C(C2(C(=N)O3)C#N)(C#N)C#N)C4=CC=NC=C4 |
Product Overview
11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile (CAS 1177792-53-8), with molecular formula C19H17N5O2 and molecular weight 347.14 g/mol. IUPAC: 13-imino-10-pyridin-4-yl-11,12-dioxatricyclo[6.3.2.01,7]tridecane-8,9,9-tricarbonitrile.
Chemical Property Profile of 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile
Property Insights of 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile
The XLogP value of 2.98051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile. The TPSA of 126.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile. Following Lipinski's Rule of Five, 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile has 1 hydrogen bond donor(s) and 7 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 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile?
The CAS number of 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile is 1177792-53-8.
What is the molecular formula of 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile?
The molecular formula of 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile is C19H17N5O2.
What is the molecular weight of 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile?
The molecular weight of 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile is 347.14 g/mol.
Where can I buy 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile?
You can request a quote for 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 11-imino-2-(pyridin-4-yl)hexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.