Tetrabutylammonium 4-nitrophenolate
TL;DR: Tetrabutylammonium 4-nitrophenolate (CAS 3002-48-0) is a chemical compound with molecular formula C22H40N2O3 and molecular weight 380.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrophenolate;tetrabutylazanium
Also Known As: Tetrabutylammonium p-Nitrophenoxide, 4-nitrophenolate;tetrabutylazanium, tetrabutylammoniump-nitrophenoxide, 4-nitrophenolate,tetrabutylazanium, TETRABUTYLAMMONIUM 4-NITROPHENOLATE
| Molecular Formula | C22H40N2O3 |
|---|---|
| Molecular Weight | 380.30 g/mol |
| LogP | 5.67 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 380.3039 |
| Heavy Atoms | 27 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 3002-48-0 |
|---|---|
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=CC=C1[N+](=O)[O-])[O-] |
| InChIKey | JWRHOHUAHHYNBL-UHFFFAOYSA-M |
Product Overview
Tetrabutylammonium 4-nitrophenolate (CAS 3002-48-0), with molecular formula C22H40N2O3 and molecular weight 380.30 g/mol. IUPAC: 4-nitrophenolate;tetrabutylazanium.
Chemical Property Profile of Tetrabutylammonium 4-nitrophenolate
Property Insights of Tetrabutylammonium 4-nitrophenolate
The XLogP value of 5.67 indicates that Tetrabutylammonium 4-nitrophenolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrabutylammonium 4-nitrophenolate. Following Lipinski's Rule of Five, Tetrabutylammonium 4-nitrophenolate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrabutylammonium 4-nitrophenolate?
The CAS number of Tetrabutylammonium 4-nitrophenolate is 3002-48-0.
What is the molecular formula of Tetrabutylammonium 4-nitrophenolate?
The molecular formula of Tetrabutylammonium 4-nitrophenolate is C22H40N2O3.
What is the molecular weight of Tetrabutylammonium 4-nitrophenolate?
The molecular weight of Tetrabutylammonium 4-nitrophenolate is 380.30 g/mol.
Where can I buy Tetrabutylammonium 4-nitrophenolate?
You can request a quote for Tetrabutylammonium 4-nitrophenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrabutylammonium 4-nitrophenolate?
Yes, KEHONG BIO provides custom synthesis services for Tetrabutylammonium 4-nitrophenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.