Tetranitrophenolsulfonphthalein
TL;DR: Tetranitrophenolsulfonphthalein (CAS 57564-54-2) is a chemical compound with molecular formula C19H10N4O13S and molecular weight 534.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-hydroxy-3,5-dinitrophenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2,6-dinitrophenol
Also Known As: Tetranitrophenolsulfonphthalein, 2.3-Diamino-5-bromopyridine, Tetranitrophenolsulfonephthalein, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dinitro-, S,S-dioxide, 4-[3-(4-hydroxy-3,5-dinitrophenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2,6-dinitrophenol
| Molecular Formula | C19H10N4O13S |
|---|---|
| Molecular Weight | 534.00 g/mol |
| LogP | 2.7414 |
| Topological Polar Surface Area | 256.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.9965 |
| Heavy Atoms | 37 |
| Complexity | 1516.606 |
Chemical Identifiers
| CAS Number | 57564-54-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-])C4=CC(=C(C(=C4)[N+](=O)[O-])O)[N+](=O)[O-] |
Product Overview
Tetranitrophenolsulfonphthalein (CAS 57564-54-2), with molecular formula C19H10N4O13S and molecular weight 534.00 g/mol. IUPAC: 4-[3-(4-hydroxy-3,5-dinitrophenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2,6-dinitrophenol.
Chemical Property Profile of Tetranitrophenolsulfonphthalein
Property Insights of Tetranitrophenolsulfonphthalein
The XLogP value of 2.7414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetranitrophenolsulfonphthalein. The TPSA of 256.39 Ų indicates high polarity, suggesting Tetranitrophenolsulfonphthalein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetranitrophenolsulfonphthalein has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetranitrophenolsulfonphthalein?
The CAS number of Tetranitrophenolsulfonphthalein is 57564-54-2.
What is the molecular formula of Tetranitrophenolsulfonphthalein?
The molecular formula of Tetranitrophenolsulfonphthalein is C19H10N4O13S.
What is the molecular weight of Tetranitrophenolsulfonphthalein?
The molecular weight of Tetranitrophenolsulfonphthalein is 534.00 g/mol.
Where can I buy Tetranitrophenolsulfonphthalein?
You can request a quote for Tetranitrophenolsulfonphthalein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetranitrophenolsulfonphthalein?
Yes, KEHONG BIO provides custom synthesis services for Tetranitrophenolsulfonphthalein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.