Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt
TL;DR: Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt (CAS 94460-95-4) is a chemical compound with molecular formula C38H32Cl2N8Na2O8S2 and molecular weight 908.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-chloro-3-[4-[[4-[1-[4-[[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt, Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, sodium salt (1:2), Benzenesulfonic acid, 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chloro-, disodium salt, Benzenesulfonic acid, 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chloro-, sodium salt (1:2), disodium 3,3'-{cyclohexane-1,1-diylbis[benzene-4,1-diyl(e)diazene-2,1-diyl(3-methyl-5-oxo-4,5-dihydro-1h-pyrazole-4,1-diyl)]}bis(4-chlorobenzenesulfonate)
| Molecular Formula | C38H32Cl2N8Na2O8S2 |
|---|---|
| Molecular Weight | 908.10 g/mol |
| LogP | 1.8098 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 908.0957 |
| Heavy Atoms | 60 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 94460-95-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C3(CCCCC3)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C6=C(C=CC(=C6)S(=O)(=O)[O-])Cl)C)C7=C(C=CC(=C7)S(=O)(=O)[O-])Cl.[Na+].[Na+] |
| InChIKey | HEOPACURWUVTNI-UHFFFAOYSA-L |
Product Overview
Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt (CAS 94460-95-4), with molecular formula C38H32Cl2N8Na2O8S2 and molecular weight 908.10 g/mol. IUPAC: disodium;4-chloro-3-[4-[[4-[1-[4-[[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt
Property Insights of Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt
The XLogP value of 1.8098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt. The TPSA of 246.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, 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, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt?
The CAS number of Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt is 94460-95-4.
What is the molecular formula of Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt?
The molecular formula of Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt is C38H32Cl2N8Na2O8S2.
What is the molecular weight of Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt?
The molecular weight of Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt is 908.10 g/mol.
Where can I buy Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt?
You can request a quote for Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, 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, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.