RefChem:117931
TL;DR: RefChem:117931 (CAS 84962-49-2) is a chemical compound with molecular formula C25H15Cl3N9Na3O10S3 and molecular weight 870.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2,5-dichloro-4-[4-[[5-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
Also Known As: 4-((4-Chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulfonic acid, trisodium salt, 4-((4-Chloro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulphonic acid, sodium salt, 4-4-chloro-6-(3-sulphonatophenyl)amino-1,3,5-triazin-2-ylamino-2-1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3 -methyl-5-oxo-1H-pyrazol-4-ylazobenzenesulphonate (sodium salt), Benzenesulfonic acid, 4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-(2-(1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:3), Benzenesulfonic acid, 4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, trisodium salt
| Molecular Formula | C25H15Cl3N9Na3O10S3 |
|---|---|
| Molecular Weight | 870.89 g/mol |
| LogP | -5.0817 |
| Topological Polar Surface Area | 317.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 870.8863 |
| Heavy Atoms | 53 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 84962-49-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)NC4=CC(=CC=C4)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])C5=CC(=C(C=C5Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+] |
| InChIKey | CMHGGMYOTLMJTR-UHFFFAOYSA-K |
Product Overview
RefChem:117931 (CAS 84962-49-2), with molecular formula C25H15Cl3N9Na3O10S3 and molecular weight 870.89 g/mol. IUPAC: trisodium;2,5-dichloro-4-[4-[[5-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of RefChem:117931
Property Insights of RefChem:117931
The XLogP value of -5.0817 indicates that RefChem:117931 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 317.0 Ų indicates high polarity, suggesting RefChem:117931 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117931 has 2 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117931?
The CAS number of RefChem:117931 is 84962-49-2.
What is the molecular formula of RefChem:117931?
The molecular formula of RefChem:117931 is C25H15Cl3N9Na3O10S3.
What is the molecular weight of RefChem:117931?
The molecular weight of RefChem:117931 is 870.89 g/mol.
Where can I buy RefChem:117931?
You can request a quote for RefChem:117931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117931?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.