4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile
TL;DR: 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile (CAS 364365-47-9) is a chemical compound with molecular formula C28H21N2O3P and molecular weight 464.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-nitrophenyl)-3-oxo-2-(triphenyl-λ5-phosphanylidene)butanenitrile
Also Known As: 4-(2-nitrophenyl)-3-oxo-2-(triphenyl-, 4-(2-nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile, F0191-0452, 4-(2-nitrophenyl)-3-oxo-2-(triphenyl-lambda5-phosphanylidene)butanenitrile, 4-(2-nitrophenyl)-3-oxo-2-triphenylphosphoranylidene-butanenitrile
| Molecular Formula | C28H21N2O3P |
|---|---|
| Molecular Weight | 464.13 g/mol |
| LogP | 4.39648 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.12897 |
| Heavy Atoms | 34 |
| Complexity | 1323.5668 |
Chemical Identifiers
| CAS Number | 364365-47-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=C(C#N)C(=O)CC2=CC=CC=C2[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile (CAS 364365-47-9), with molecular formula C28H21N2O3P and molecular weight 464.13 g/mol. IUPAC: 4-(2-nitrophenyl)-3-oxo-2-(triphenyl-λ5-phosphanylidene)butanenitrile.
Chemical Property Profile of 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile
Property Insights of 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile
The XLogP value of 4.39648 indicates that 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile. Following Lipinski's Rule of Five, 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile has 0 hydrogen bond donor(s) and 4 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 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile?
The CAS number of 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile is 364365-47-9.
What is the molecular formula of 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile?
The molecular formula of 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile is C28H21N2O3P.
What is the molecular weight of 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile?
The molecular weight of 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile is 464.13 g/mol.
Where can I buy 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile?
You can request a quote for 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Nitrophenyl)-3-oxo-2-(triphenylphosphoranylidene)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.