C16H13N4O9PS
TL;DR: C16H13N4O9PS (CAS 77394-55-9) is a chemical compound with molecular formula C16H13N4O9PS and molecular weight 468.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-4-[(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
Also Known As: 4,5-Dihydro-5-oxo-4-((3-phosphonophenyl)azo)-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[azo]-1-1h-pyrazole-3-carboxylicacid, 4,5-dihydro-5-oxo-4-[ azo]-1- -1H-pyrazole-3-carboxylicacid, 5-oxo-4-[(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid, 5-oxo-4-[(e)-(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-4,5-dihydro-1h-pyrazole-3-carboxylic acid
| Molecular Formula | C16H13N4O9PS |
|---|---|
| Molecular Weight | 468.01 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.0141 |
| Heavy Atoms | 31 |
| Complexity | 933.0 |
Chemical Identifiers
| CAS Number | 77394-55-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)P(=O)(O)O)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O |
| InChIKey | UFOWHPDKJWPTMS-UHFFFAOYSA-N |
Product Overview
C16H13N4O9PS (CAS 77394-55-9), with molecular formula C16H13N4O9PS and molecular weight 468.01 g/mol. IUPAC: 5-oxo-4-[(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of C16H13N4O9PS
Property Insights of C16H13N4O9PS
The XLogP value of -0.3 indicates that C16H13N4O9PS is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 215.0 Ų indicates high polarity, suggesting C16H13N4O9PS may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C16H13N4O9PS has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C16H13N4O9PS?
The CAS number of C16H13N4O9PS is 77394-55-9.
What is the molecular formula of C16H13N4O9PS?
The molecular formula of C16H13N4O9PS is C16H13N4O9PS.
What is the molecular weight of C16H13N4O9PS?
The molecular weight of C16H13N4O9PS is 468.01 g/mol.
Where can I buy C16H13N4O9PS?
You can request a quote for C16H13N4O9PS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H13N4O9PS?
Yes, KEHONG BIO provides custom synthesis services for C16H13N4O9PS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.