![2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile structure](/static/products/117/1177142-08-3.png)
2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile
TL;DR: 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile (CAS 1177142-08-3) is a chemical compound with molecular formula C20H17FN4O2 and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3-fluorophenyl)-13-imino-11,12-dioxatricyclo[6.3.2.01,7]tridecane-8,9,9-tricarbonitrile
Also Known As: 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile, 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4-tricarbonitrile
| Molecular Formula | C20H17FN4O2 |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 3.72461 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.13354 |
| Heavy Atoms | 27 |
| Complexity | 928.5257 |
Chemical Identifiers
| CAS Number | 1177142-08-3 |
|---|---|
| SMILES | C1CCC2C3(CC1)OC(C(C2(C(=N)O3)C#N)(C#N)C#N)C4=CC(=CC=C4)F |
Product Overview
2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile (CAS 1177142-08-3), with molecular formula C20H17FN4O2 and molecular weight 364.13 g/mol. IUPAC: 10-(3-fluorophenyl)-13-imino-11,12-dioxatricyclo[6.3.2.01,7]tridecane-8,9,9-tricarbonitrile.
Chemical Property Profile of 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile
Property Insights of 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile
The XLogP value of 3.72461 indicates that 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-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-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile. Following Lipinski's Rule of Five, 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-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-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile?
The CAS number of 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile is 1177142-08-3.
What is the molecular formula of 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile?
The molecular formula of 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile is C20H17FN4O2.
What is the molecular weight of 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile?
The molecular weight of 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile is 364.13 g/mol.
Where can I buy 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile?
You can request a quote for 2-(3-fluorophenyl)-11-iminohexahydro-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 2-(3-fluorophenyl)-11-iminohexahydro-2H-9a,4-(epoxymethano)cyclohepta[b]pyran-3,3,4(4H)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-fluorophenyl)-11-iminohexahydro-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.