Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt
TL;DR: Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt (CAS 72121-81-4) is a chemical compound with molecular formula C19H18N4Na2O11S3 and molecular weight 619.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[4-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt, 4-(4,5-Dihydro-4-((4-methoxy-3-((2-sulfooxyethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid disodium salt, Benzenesulfonic acid, 4-(4,5-dihydro-4-(2-(4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2), Benzenesulfonic acid, 4-[4,5-dihydro-4-[[4-methoxy-3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium salt, Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-[4-methoxy-3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2)
| Molecular Formula | C19H18N4Na2O11S3 |
|---|---|
| Molecular Weight | 619.99 g/mol |
| LogP | -5.2672 |
| Topological Polar Surface Area | 250.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 619.993 |
| Heavy Atoms | 39 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 72121-81-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2)OC)S(=O)(=O)CCOS(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | DLVXYSKVSXWEFE-UHFFFAOYSA-L |
Product Overview
Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt (CAS 72121-81-4), with molecular formula C19H18N4Na2O11S3 and molecular weight 619.99 g/mol. IUPAC: disodium;4-[4-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt
Property Insights of Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt
The XLogP value of -5.2672 indicates that Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-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 250.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-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, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt has 0 hydrogen bond donor(s) and 14 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, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt?
The CAS number of Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt is 72121-81-4.
What is the molecular formula of Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt?
The molecular formula of Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt is C19H18N4Na2O11S3.
What is the molecular weight of Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt?
The molecular weight of Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt is 619.99 g/mol.
Where can I buy Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt?
You can request a quote for Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-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, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-(4,5-dihydro-4-((4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.