n-trityl piperazine
TL;DR: n-trityl piperazine (CAS 32425-62-0) is a chemical compound with molecular formula C25H18N4O12S2 and molecular weight 630.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[5-carboxy-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid
Also Known As: n-trityl piperazine, 4-[5-[5-carboxy-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylicacid,4-[5-[3-carboxy-1,5-dihydro-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]-1,3-pentadien-1-yl]-5-hydroxy-1-(4-sulfophenyl)-, 4-(5-(3-Carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl)penta-2,4-dienylidene)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, 4-[5-[3-Carboxy-1,5-dihydro-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]-1,3-pentadien-1-yl]-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
| Molecular Formula | C25H18N4O12S2 |
|---|---|
| Molecular Weight | 630.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 265.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 630.03625 |
| Heavy Atoms | 43 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 32425-62-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)O)C=CC=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C(=O)O)S(=O)(=O)O |
| InChIKey | QKWLWTCFYLNAHC-UHFFFAOYSA-N |
Product Overview
n-trityl piperazine (CAS 32425-62-0), with molecular formula C25H18N4O12S2 and molecular weight 630.04 g/mol. IUPAC: 4-[5-[5-carboxy-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid.
Chemical Property Profile of n-trityl piperazine
Property Insights of n-trityl piperazine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-trityl piperazine. The TPSA of 265.0 Ų indicates high polarity, suggesting n-trityl piperazine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, n-trityl piperazine has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of n-trityl piperazine?
The CAS number of n-trityl piperazine is 32425-62-0.
What is the molecular formula of n-trityl piperazine?
The molecular formula of n-trityl piperazine is C25H18N4O12S2.
What is the molecular weight of n-trityl piperazine?
The molecular weight of n-trityl piperazine is 630.04 g/mol.
Where can I buy n-trityl piperazine?
You can request a quote for n-trityl piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-trityl piperazine?
Yes, KEHONG BIO provides custom synthesis services for n-trityl piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.