RefChem:285430
TL;DR: RefChem:285430 (CAS 10149-98-1) is a chemical compound with molecular formula C18H16N4O12S3 and molecular weight 575.9927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-oxo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
Also Known As: 5-oxo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylicacid,4,5-dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-, 4,5-Dihydro-5-oxo-4-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-, 4,5-Dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C18H16N4O12S3 |
| Molecular Weight | 575.9927 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 272.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 575.9927 Da |
| Heavy Atoms | 37 |
| Complexity | 1250.0 |
| SMILES | C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)CCOS(=O)(=O)O |
| InChIKey | ZDISUHHECSVSMD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:285430
Property Insights of RefChem:285430
The XLogP value of -0.1 indicates that RefChem:285430 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 272.0 Ų indicates high polarity, suggesting RefChem:285430 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:285430 has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:285430?
The CAS number of RefChem:285430 is 10149-98-1.
What is the molecular formula of RefChem:285430?
The molecular formula of RefChem:285430 is C18H16N4O12S3.
What is the molecular weight of RefChem:285430?
The molecular weight of RefChem:285430 is 575.9927 g/mol.
Where can I buy RefChem:285430?
You can request a quote for RefChem:285430 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:285430?
Yes, CoreyChem provides custom synthesis services for RefChem:285430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.