RefChem:439021
TL;DR: RefChem:439021 (CAS 75199-00-7) is a chemical compound with molecular formula C25H12Cl2N7Na3O10S2 and molecular weight 772.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
Also Known As: 1H-Pyrazole-3-carboxylic acid, 4-((4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt, 1H-Pyrazole-3-carboxylic acid, 4-(2-(4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3), 1H-Pyrazole-3-carboxylic acid, 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt, 1H-Pyrazole-3-carboxylic acid, 4-[2-[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3), 2-((3-Carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl)azo)-5-(((2,3-dichloroquinoxalin-6-yl)carbonyl)amino)benzenesulfonic acid, trisodium salt
| Molecular Formula | C25H12Cl2N7Na3O10S2 |
|---|---|
| Molecular Weight | 772.92 g/mol |
| LogP | -7.3859 |
| Topological Polar Surface Area | 284.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 5 |
| Exact Mass | 772.9157 |
| Heavy Atoms | 49 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 75199-00-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)N=C(C(=N5)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | RJGNVZNQMMHZLS-UHFFFAOYSA-K |
Product Overview
RefChem:439021 (CAS 75199-00-7), with molecular formula C25H12Cl2N7Na3O10S2 and molecular weight 772.92 g/mol. IUPAC: trisodium;4-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate.
Chemical Property Profile of RefChem:439021
Property Insights of RefChem:439021
The XLogP value of -7.3859 indicates that RefChem:439021 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 284.0 Ų indicates high polarity, suggesting RefChem:439021 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:439021 has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:439021?
The CAS number of RefChem:439021 is 75199-00-7.
What is the molecular formula of RefChem:439021?
The molecular formula of RefChem:439021 is C25H12Cl2N7Na3O10S2.
What is the molecular weight of RefChem:439021?
The molecular weight of RefChem:439021 is 772.92 g/mol.
Where can I buy RefChem:439021?
You can request a quote for RefChem:439021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:439021?
Yes, KEHONG BIO provides custom synthesis services for RefChem:439021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.