![2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile structure](/static/products/548/54885-16-4.png)
2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile
TL;DR: 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile (CAS 54885-16-4) is a chemical compound with molecular formula C14H7N3O3 and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
Also Known As: BAS 00873944, J3.240.918K, 2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}propanedinitrile, 2-[5-(2-Nitro-phenyl)-furan-2-ylmethylene]-malononitrile, 2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
| Molecular Formula | C14H7N3O3 |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.04874 |
| Heavy Atoms | 20 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 54885-16-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C#N)[N+](=O)[O-] |
| InChIKey | IFNFHCVZEGGOFO-UHFFFAOYSA-N |
Product Overview
2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile (CAS 54885-16-4), with molecular formula C14H7N3O3 and molecular weight 265.05 g/mol. IUPAC: 2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile.
Chemical Property Profile of 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile
Property Insights of 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile. Following Lipinski's Rule of Five, 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile has 0 hydrogen bond donor(s) and 5 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-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile?
The CAS number of 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile is 54885-16-4.
What is the molecular formula of 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile?
The molecular formula of 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile is C14H7N3O3.
What is the molecular weight of 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile?
The molecular weight of 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile is 265.05 g/mol.
Where can I buy 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile?
You can request a quote for 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(2-Nitrophenyl)furan-2-yl]methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.