![2-furyl(imino)[?]tricarbonitrile structure](/static/products/950/95059-25-9.png)
2-furyl(imino)[?]tricarbonitrile
TL;DR: 2-furyl(imino)[?]tricarbonitrile (CAS 95059-25-9) is a chemical compound with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(furan-2-yl)-12-imino-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile
Also Known As: 2-furyl(imino)[?]tricarbonitrile, NCI60_029317, 2-(furan-2-yl)-10-iminotetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile, 2-(furan-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile, 8a,3-(Epoxymethano)-8aH-1-benzopyran-3,4,4(2H,6H)-tricarbonitrile, 2-(2-furanyl)tetrahydro-10-imino-
| Molecular Formula | C17H14N4O3 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.1066 |
| Heavy Atoms | 24 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 95059-25-9 |
|---|---|
| SMILES | C1CCC23C(C1)C(C(C(O2)C4=CC=CO4)(C(=N)O3)C#N)(C#N)C#N |
| InChIKey | VEZFHWQYKDHODL-UHFFFAOYSA-N |
Product Overview
2-furyl(imino)[?]tricarbonitrile (CAS 95059-25-9), with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol. IUPAC: 9-(furan-2-yl)-12-imino-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile.
Chemical Property Profile of 2-furyl(imino)[?]tricarbonitrile
Property Insights of 2-furyl(imino)[?]tricarbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-furyl(imino)[?]tricarbonitrile. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-furyl(imino)[?]tricarbonitrile. Following Lipinski's Rule of Five, 2-furyl(imino)[?]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 2-furyl(imino)[?]tricarbonitrile?
The CAS number of 2-furyl(imino)[?]tricarbonitrile is 95059-25-9.
What is the molecular formula of 2-furyl(imino)[?]tricarbonitrile?
The molecular formula of 2-furyl(imino)[?]tricarbonitrile is C17H14N4O3.
What is the molecular weight of 2-furyl(imino)[?]tricarbonitrile?
The molecular weight of 2-furyl(imino)[?]tricarbonitrile is 322.11 g/mol.
Where can I buy 2-furyl(imino)[?]tricarbonitrile?
You can request a quote for 2-furyl(imino)[?]tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-furyl(imino)[?]tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-furyl(imino)[?]tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.