RefChem:79929
TL;DR: RefChem:79929 (CAS 70815-23-5) is a chemical compound with molecular formula C16H19N6O9PS and molecular weight 502.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diazanium;5-oxo-4-[(3-phosphonophenyl)diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
Also Known As: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-((3-phosphonophenyl)azo)-1-(4-sulfophenyl)-, diammonium salt, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-(2-(3-phosphonophenyl)diazenyl)-1-(4-sulfophenyl)-, ammonium salt (1:2), 4,5-Dihydro-5-oxo-4-((3-phosphonophenyl)azo)-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid, diammonium salt, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[(3-phosphonophenyl)azo]-1-(4-sulfophenyl)-, diammonium salt, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[2-(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-, ammonium salt (1:2)
| Molecular Formula | C16H19N6O9PS |
|---|---|
| Molecular Weight | 502.07 g/mol |
| LogP | -0.2489 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.06717 |
| Heavy Atoms | 33 |
| Complexity | 914.0 |
Chemical Identifiers
| CAS Number | 70815-23-5 |
|---|---|
| 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-].[NH4+].[NH4+] |
| InChIKey | BKRBMTUINVGANS-UHFFFAOYSA-N |
Product Overview
RefChem:79929 (CAS 70815-23-5), with molecular formula C16H19N6O9PS and molecular weight 502.07 g/mol. IUPAC: diazanium;5-oxo-4-[(3-phosphonophenyl)diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate.
Chemical Property Profile of RefChem:79929
Property Insights of RefChem:79929
The XLogP value of -0.2489 indicates that RefChem:79929 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.0 Ų indicates high polarity, suggesting RefChem:79929 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:79929 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 RefChem:79929?
The CAS number of RefChem:79929 is 70815-23-5.
What is the molecular formula of RefChem:79929?
The molecular formula of RefChem:79929 is C16H19N6O9PS.
What is the molecular weight of RefChem:79929?
The molecular weight of RefChem:79929 is 502.07 g/mol.
Where can I buy RefChem:79929?
You can request a quote for RefChem:79929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79929?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.