2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile
TL;DR: 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile (CAS 165056-54-2) is a chemical compound with molecular formula C20H11N7O4 and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile
Also Known As: 2,5-bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile, J1.043.885C
| Molecular Formula | C20H11N7O4 |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 2.95572 |
| Topological Polar Surface Area | 193.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.08725 |
| Heavy Atoms | 31 |
| Complexity | 1136.2552 |
Chemical Identifiers
| CAS Number | 165056-54-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(C(N2)C3=CC(=CC=C3)[N+](=O)[O-])(C#N)C#N)(C#N)C#N |
Product Overview
2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile (CAS 165056-54-2), with molecular formula C20H11N7O4 and molecular weight 413.09 g/mol. IUPAC: 2,5-bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile.
Chemical Property Profile of 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile
Property Insights of 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile
The XLogP value of 2.95572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile. The TPSA of 193.47 Ų indicates high polarity, suggesting 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile has 1 hydrogen bond donor(s) and 9 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-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile?
The CAS number of 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile is 165056-54-2.
What is the molecular formula of 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile?
The molecular formula of 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile is C20H11N7O4.
What is the molecular weight of 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile?
The molecular weight of 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile is 413.09 g/mol.
Where can I buy 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile?
You can request a quote for 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Bis(3-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.