RefChem:117923
TL;DR: RefChem:117923 (CAS 85391-58-8) is a chemical compound with molecular formula C35H30N8Na2O8S2 and molecular weight 800.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-methyl-4-[3-methyl-4-[[4-[[4-[[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]methyl]phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
Also Known As: Sodium 4,4'-(methylenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(3-methylbenzenesulphonate, Benzenesulfonic acid, 4,4'-(methylenebis(4,1-phenylene-2,1-diazenediyl(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(3-methyl-, sodium salt (1:2), Benzenesulfonic acid, 4,4'-(methylenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(3-methyl-, disodium salt, Benzenesulfonic acid, 4,4'-[methylenebis[4,1-phenylene-2,1-diazenediyl(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[3-methyl-, sodium salt (1:2), disodium 3-methyl-4-[3-methyl-4-[4-[[4-[[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]methyl]phenyl]diazenyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
| Molecular Formula | C35H30N8Na2O8S2 |
|---|---|
| Molecular Weight | 800.14 g/mol |
| LogP | -0.53956 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 800.14233 |
| Heavy Atoms | 55 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 85391-58-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)CC4=CC=C(C=C4)N=NC5C(=NN(C5=O)C6=C(C=C(C=C6)S(=O)(=O)[O-])C)C.[Na+].[Na+] |
| InChIKey | IUNYXTGGDLAACZ-UHFFFAOYSA-L |
Product Overview
RefChem:117923 (CAS 85391-58-8), with molecular formula C35H30N8Na2O8S2 and molecular weight 800.14 g/mol. IUPAC: disodium;3-methyl-4-[3-methyl-4-[[4-[[4-[[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]methyl]phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of RefChem:117923
Property Insights of RefChem:117923
The XLogP value of -0.53956 indicates that RefChem:117923 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 246.0 Ų indicates high polarity, suggesting RefChem:117923 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117923 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 RefChem:117923?
The CAS number of RefChem:117923 is 85391-58-8.
What is the molecular formula of RefChem:117923?
The molecular formula of RefChem:117923 is C35H30N8Na2O8S2.
What is the molecular weight of RefChem:117923?
The molecular weight of RefChem:117923 is 800.14 g/mol.
Where can I buy RefChem:117923?
You can request a quote for RefChem:117923 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117923?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.