RefChem:439040
TL;DR: RefChem:439040 (CAS 63400-64-6) is a chemical compound with molecular formula C16H13N5O9S2 and molecular weight 483.01547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(5-amino-2-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
Also Known As: Isoamyl cephaeline phosphate, 1H-Pyrazole-3-carboxylic acid, 4-((5-amino-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 1H-Pyrazole-3-carboxylic acid, 4-(2-(5-amino-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 4-[(e)-(5-amino-2-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1h-pyrazole-3-carboxylic acid, Emetan, 7',10,11-trimethoxy-6'-(3-methylbutoxy)-, phosphate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H13N5O9S2 |
| Molecular Weight | 483.01547 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 246.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.01547 Da |
| Heavy Atoms | 32 |
| Complexity | 1020.0 |
| SMILES | C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)O)N=NC3=C(C=CC(=C3)N)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | VBYWTDIEYSAZHP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:439040
Property Insights of RefChem:439040
The XLogP value of -0.2 indicates that RefChem:439040 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 246.0 Ų indicates high polarity, suggesting RefChem:439040 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:439040 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:439040?
The CAS number of RefChem:439040 is 63400-64-6.
What is the molecular formula of RefChem:439040?
The molecular formula of RefChem:439040 is C16H13N5O9S2.
What is the molecular weight of RefChem:439040?
The molecular weight of RefChem:439040 is 483.01547 g/mol.
Where can I buy RefChem:439040?
You can request a quote for RefChem:439040 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:439040?
Yes, CoreyChem provides custom synthesis services for RefChem:439040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.