5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile
TL;DR: 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile (CAS 213836-67-0) is a chemical compound with molecular formula C13H7N5O3 and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(4-nitrophenyl)-2H-furan-3,3,4-tricarbonitrile
Also Known As: NCI60_029302, 5-amino-2-(4-nitrophenyl)-2H-furan-3,3,4-tricarbonitrile, 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile, 5-Amino-2-(4-(hydroxy(oxido)amino)phenyl)-3,3,4(2H)-furantricarbonitrile, Furan-3,4-tricarbonitrile, 5-amino-2,3-dihydro- 2-(4-nitrophenyl)-
| Molecular Formula | C13H7N5O3 |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.0549 |
| Heavy Atoms | 21 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 213836-67-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C(C(=C(O2)N)C#N)(C#N)C#N)[N+](=O)[O-] |
| InChIKey | NPCAWLJGJWCOSP-UHFFFAOYSA-N |
Product Overview
5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile (CAS 213836-67-0), with molecular formula C13H7N5O3 and molecular weight 281.05 g/mol. IUPAC: 5-amino-2-(4-nitrophenyl)-2H-furan-3,3,4-tricarbonitrile.
Chemical Property Profile of 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile
Property Insights of 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile. The TPSA of 152.0 Ų indicates high polarity, suggesting 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-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 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile?
The CAS number of 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile is 213836-67-0.
What is the molecular formula of 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile?
The molecular formula of 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile is C13H7N5O3.
What is the molecular weight of 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile?
The molecular weight of 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile is 281.05 g/mol.
Where can I buy 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile?
You can request a quote for 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-2-(4-nitrophenyl)furan-3,3,4(2H)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.