Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt
TL;DR: Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt (CAS 93196-73-7) is a chemical compound with molecular formula C20H10Cl3F2N7Na2O7S2 and molecular weight 712.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2,5-dichloro-4-[4-[[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt, Benzenesulfonic acid, 2,5-dichloro-4-(4-(2-(5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2), Benzenesulfonic acid, 2,5-dichloro-4-[4-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium salt, Benzenesulfonic acid, 2,5-dichloro-4-[4-[2-[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2), disodium 2,5-dichloro-4-{4-[(e)-{5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl}diazenyl]-3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl}benzenesulfonate
| Molecular Formula | C20H10Cl3F2N7Na2O7S2 |
|---|---|
| Molecular Weight | 712.89 g/mol |
| LogP | -1.8502 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 5 |
| Exact Mass | 712.89124 |
| Heavy Atoms | 43 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 93196-73-7 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC3=C(C(=NC(=N3)F)F)Cl)S(=O)(=O)[O-])C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+] |
| InChIKey | HQDXRVBGELSFMO-UHFFFAOYSA-L |
Product Overview
Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt (CAS 93196-73-7), with molecular formula C20H10Cl3F2N7Na2O7S2 and molecular weight 712.89 g/mol. IUPAC: disodium;2,5-dichloro-4-[4-[[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt
Property Insights of Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt
The XLogP value of -1.8502 indicates that Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 226.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt 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 Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt?
The CAS number of Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt is 93196-73-7.
What is the molecular formula of Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt?
The molecular formula of Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt is C20H10Cl3F2N7Na2O7S2.
What is the molecular weight of Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt?
The molecular weight of Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt is 712.89 g/mol.
Where can I buy Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt?
You can request a quote for Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.